SCHEMBL2591901

SCHEMBL2591901

COc1cccc(-c2cccc(C=O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC4 P56524 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CYP2A6 P11509 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2E1 P05181 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C8 P10632 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP4B1 P13584 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP3A5 P20815 1/20 0.52
CYP2A7 P20853 1/20 0.52
CYP3A7 P24462 1/20 0.52
CYP2F1 P24903 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7684603 0.88 NPC1 (0.65) NPC1RAB9ATDP1CYP2A6ALDH1A1
SCHEMBL23188 0.88 NPC1 (0.65) NPC1RAB9ATDP1CYP2A6ALDH1A1
SCHEMBL29399968 0.88 NPC1 (0.65) NPC1RAB9ATDP1CYP2A6ALDH1A1
SCHEMBL32688276 0.87 ABL1 (0.58) ERN1NPC1RAB9ATDP1HDAC4
SCHEMBL2581063 0.87 DRD1 (0.64) ERN1HDAC4HDAC8CYP2A6CYP1A1
SCHEMBL1977748 0.87 ABL1 (0.58) ERN1NPC1RAB9ATDP1HDAC4
SCHEMBL29998099 0.86 NPC1 (0.63) NPC1RAB9ATDP1CYP2A6ALDH1A1
Ethane SCHEMBL1494210 0.86 NPC1 (0.63) NPC1RAB9ATDP1CYP2A6ALDH1A1
SCHEMBL4510797 0.84 ABL1 (0.54) ERN1NPC1RAB9ATDP1HDAC4
SCHEMBL16180188 0.84 CYP11B1 (0.49) ERN1NPC1RAB9ATDP1HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390247-A1 BIPHENYL PYRROLIDINE AND BIPHENYL DIHYDROIMIDAZOLE DERIVATIVES FOR INHIBITING ACTIVITY OF 5-HT7 SEROTONIN RECEPTOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-12-07 US disclosed
EP-4257583-A1 BIPHENYL PYRROLIDINE AND BIPHENYL DIHYDROIMIDAZOLE DERIVATIVES FOR INHIBITING ACTIVITY OF 5-HT7 SEROTONIN RECEPTOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Korea Institute of Science and Technology (KR) 2023-10-11 EP disclosed
US-20180065917-A1 IMMUNE CHECKPOINT INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS, INC. (JP) 2018-03-08 US disclosed
US-20170226317-A1 POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
EP-2986607-B1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-06-14 EP disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9527867-B2 Antibacterial biaromatic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-12-27 US disclosed
US-20160075722-A1 Antibacterial Biaromatic Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2016-03-17 US disclosed
EP-2986607-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-02-24 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
WO-2014170821-A1 ANTIBACTERIAL BIAROMATIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-23 WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
WO-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2009-09-17 US disclosed
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1979324-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER'S DISEASE, NEURODEGENERATION AND DEMENTIA Astra Zeneca AB (SE) 2008-10-15 EP disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2007058602-A2 NOVEL 2-AMINO-IMIDAZOLE-4-ONE COMPOUNDS AND THEIR USE IN THE MANUFACTURE OF A MEDICAMENT TO BE USED IN THE TREATMENT OF COGNITIVE IMPAIRMENT, ALZHEIMER’S DISEASE, NEURODEGENERATION AND DEMENTIA. ASTRAZENECA AB (SE) 2007-05-24 WO disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 ERN1 4004/4885NPC1 512/4885RAB9A 1387/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ERN1 1882/4885NPC1 4727/4885RAB9A 944/4885
US-20160075722-A1 Antibacterial Biaromatic Derivatives CYC1, C5, CYCS ERN1 480/4885NPC1 2130/4885RAB9A 3081/4885
US-20180065917-A1 IMMUNE CHECKPOINT INHIBITORS, COMPOSITIONS AND METHODS THEREOF CD274, PDCD1, PDCD1LG2 ERN1 1567/4885NPC1 1942/4885RAB9A 2168/4885
US-20090233930-A9 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 ERN1 3221/4885NPC1 247/4885RAB9A 1556/4885
US-20230390247-A1 BIPHENYL PYRROLIDINE AND BIPHENYL DIHYDROIMIDAZOLE DERIVATIVES FOR INHIBITING ACTIVITY OF 5-HT7 SEROTONIN RECEPTOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT HTR7, TPH1, HTR2C ERN1 4783/4885NPC1 3998/4885RAB9A 1956/4885
US-20170226317-A1 POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND DISPLAY DEVICE NBAS, SSB, BIRC5 ERN1 4128/4885NPC1 2604/4885RAB9A 1276/4885
US-20080293718-A1 Novel 2-Amino-Imidazole-4-One Compounds and Their Use in the Manufacture of a Medicament to Be Used in the Treatment of Cognitive Impairment, Alzheimer's Disease, Neurodegeneration and Dementia PSEN2, MAPT, PSEN1 ERN1 3221/4885NPC1 247/4885RAB9A 1556/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.