SCHEMBL638047

SCHEMBL638047

Nc1ccc(Br)cc1C(=O)c1ccccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
POLB P06746 1/20 0.63
KDM4E B2RXH2 1/20 0.56
GLA P06280 1/20 0.56
ALDH1A1 P00352 4/20 0.54
TP53 P04637 1/20 0.52
GSTA1 P08263 1/20 0.51
PLAU P00749 1/20 0.49
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
DGAT1 O75907 1/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2C19 P33261 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL30375142 1.00 MAPT (0.63) MAPTPOLBKDM4EGLAALDH1A1
SCHEMBL2703001 0.89 MAPT (0.56) MAPTPOLBKDM4EGLAALDH1A1
SCHEMBL3549901 0.83 MAPT (0.58) MAPTPOLBKDM4EGLAALDH1A1
SCHEMBL3908082 0.83 MAPT (0.58) MAPTPOLBKDM4EGLAALDH1A1
SCHEMBL30089256 0.83 MAPT (0.58) MAPTPOLBKDM4EGLAALDH1A1
SCHEMBL2703087 0.83 KEAP1 (0.59) MAPTKDM4EALDH1A1TP53MAPK1
SCHEMBL5282720 0.82 MAPT (0.59) MAPTALDH1A1TP53NPC1HPGD
SCHEMBL29664874 0.82 MAPT (0.59) MAPTALDH1A1TP53NPC1HPGD
SCHEMBL28171560 0.81 KDM4E (0.73) MAPTPOLBKDM4EGLAALDH1A1
SCHEMBL332634 0.80 RECQL (0.71) MAPTPOLBKDM4EGLAALDH1A1

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092786-B2 Fire extinguishing composition comprising aldoketones compound XI'AN WESTPEACE FIRE TECHNOLOGY CO., LTD. (CN) 2018-10-09 US claimed
US-20160332016-A1 Fire Extinguishing Composition Comprising Aldoketones Compound NANO FIRE, LLC 2016-11-17 US claimed
US-20250319096-A1 METHODS AND COMPOUNDS FOR TREATING INFLAMMATION PANTHERICS INCORPERATED (US) 2025-10-16 US disclosed
US-20240279232-A1 USE OF SUBSTITUTED 5-(4-METHYL-6-PHENYL-4H-BENZO[F]IMIDAZO[1,5-A][1,4] DIAZEPIN-3-YL)-1,2,4-OXADIAZOLES IN THE TREATMENT OF INFLAMMATORY CONDITIONS UWM RESEARCH FOUNDATION, INC. 2024-08-22 US disclosed
EP-4299126-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM The Johns Hopkins University (US) 2024-01-03 EP disclosed
EP-3160969-B1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM UNIV JOHNS HOPKINS (US) 2023-09-13 EP disclosed
US-11753412-B2 Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with Alpha5-containing GABAA receptor agonists UWM RESEARCH FOUNDATION, INC. (US) 2023-09-12 US disclosed
US-11753412-B2 Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with Alpha5-containing GABAA receptor agonists UWM RESEARCH FOUNDATION, INC. (US) 2023-09-12 US disclosed
CN-116102558-A Novel benzodiazepine compound, preparation method and application thereof 中国药科大学 2023-05-12 CN disclosed
WO-2023059443-A1 METHODS AND COMPOUNDS FOR TREATING INFLAMMATION PANTHERICS INCORPORATED (US) 2023-04-13 WO disclosed
EP-4129297-A1 TREATMENT OF COGNITIVE AND MOOD SYMPTOMS IN NEURODEGENERATIVE AND NEUROPSYCHIATRIC DISORDERS WITH ALPHA5-CONTAINING GABAA RECEPTOR AGONISTS UWM Research Foundation, Inc. (US) 2023-02-08 EP disclosed
US-5481005-A N-sulfonylindoline derivatives, their preparation and the pharmaceutical compositions in which they are present SANOFI (FR) 1996-01-02 US disclosed
US-5397801-A Affinity for vasopressin and ocytocin receptors; disorders of nervous, cardiovascular and gastrointestinal systems SANOFI (FR) 1995-03-14 US disclosed
US-5338755-A Have affinity for vasopressin and ocytocin receptors; intermediates for drugs that act on central nervous system ELF SANOFI (FR) 1994-08-16 US disclosed
WO-1994004592-A1 PHOTOCONDUCTIVE POLYMERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-03-03 WO disclosed
EP-0004024-B1 METHOD FOR PREPARING 3-HYDROXY-6-PHENYL-1,2,3,4-TETRAHYDRO-1,5-BENZODIAZOCINES Kali-Chemie Pharma GmbH (DE) 1982-02-24 EP disclosed
US-4169150-A MUSCLE RELAXANTS, HYPNOSIS, ANTICONVULSANTS, SEDATIVES TEIJIN LIMITED (JP) 1979-09-25 US disclosed
EP-0004024-A2 Method for preparing 3-hydroxy-6-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazocines Kali-Chemie Pharma GmbH (DE) 1979-09-19 EP disclosed
US-3947466-A ANTIDEPRESSANTS, ANTIANXIETY THE UPJOHN COMPANY (US) 1976-03-30 US disclosed
US-3941803-A 2-(Imidazol-1-yl)benzophenones THE UPJOHN COMPANY (US) 1976-03-02 US 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 (3 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-11753412-B2 Treatment of cognitive and mood symptoms in neurodegenerative and neuropsychiatric disorders with Alpha5-containing GABAA receptor agonists GABRA5, CHRNA5, GABRA1 MAPT 101/4885POLB 2725/4885KDM4E 3145/4885
US-20250319096-A1 METHODS AND COMPOUNDS FOR TREATING INFLAMMATION MMP8, TNF, MPO MAPT 2277/4885POLB 2554/4885KDM4E 3966/4885
US-20240279232-A1 USE OF SUBSTITUTED 5-(4-METHYL-6-PHENYL-4H-BENZO[F]IMIDAZO[1,5-A][1,4] DIAZEPIN-3-YL)-1,2,4-OXADIAZOLES IN THE TREATMENT OF INFLAMMATORY CONDITIONS OPRK1, OPRD1, OPRM1 MAPT 3380/4885POLB 4133/4885KDM4E 211/4885

“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.