SCHEMBL5541328

SCHEMBL5541328

Clc1ccc(CNc2cc[c]cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
CNR2 P34972 1/20 0.53
HDAC1 Q13547 1/20 0.51
FFAR1 O14842 1/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3245776 0.92 MEN1 (0.56) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11512612 0.85 MEN1 (0.71) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL10945837 0.85 MEN1 (0.71) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5548020 0.82 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5539704 0.81 GPR84 (0.50) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL5546151 0.80 MEN1 (0.61) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL2115360 0.80 MAPT (0.61) MEN1KMT2ARAB9AFFAR1MAPT
SCHEMBL5545687 0.80 AGER (0.61) MEN1KMT2ARAB9AMAPTPOLB
SCHEMBL5544697 0.80 LMNA (0.49) HDAC1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL951833 0.79 FFAR1 (0.55) CYP1A2CYP2C9CYP2C19FFAR1L3MBTL1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108409837-B Glycopeptide compound with anti-drug resistance bacterial activity, preparation method and application thereof 上海来益生物药物研究开发中心有限责任公司 2021-09-24 CN claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
CN-108409837-B Glycopeptide compound with anti-drug resistance bacterial activity, preparation method and application thereof 上海来益生物药物研究开发中心有限责任公司 2021-09-24 CN disclosed
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-6608082-B1 Treatment of erectile dysfunction using isoquinoline compound melanocortin receptor ligands LION BIOSCIENCE AG (DE) 2003-08-19 US disclosed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
EP-0550161-B1 Single layer photoreceptor XEROX CORP (US) 2000-06-07 EP disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO disclosed
EP-0550161-A1 Single layer photoreceptor XEROX CORPORATION (US) 1993-07-07 EP 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 (1 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MEN1 3295/4885KMT2A 4267/4885CYP1A2 659/4885

“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.