SCHEMBL740186

SCHEMBL740186

O=C(COCc1cccnc1)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
NOTUM Q6P988 1/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 2/20 0.58
MAPK1 P28482 1/20 0.57
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.54
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
RECQL P46063 1/20 0.52
USP2 O75604 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
SCHEMBL14112017 0.85 KMT2A (0.65) HTTSMN1; SMN2HPGDMAPTTSHR
SCHEMBL361358 0.81 NAPRT (0.61) CYP1A2CYP2C9CYP3A4LMNAKMT2A
SCHEMBL5790114 0.80 HDAC1 (0.74) CYP3A4
Hydrochloric Acid SCHEMBL8017516 0.79 NAPRT (0.59) CYP1A2CYP2C9CYP3A4LMNAKMT2A
SCHEMBL23135787 0.78 NOTUM (0.66) CYP1A2CYP2C9CYP2C19CYP3A4NOTUM
SCHEMBL28497414 0.78 LMNA (0.86) CYP1A2CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL30172092 0.78 LMNA (0.86) CYP1A2CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL29684017 0.77 NAMPT (0.76) CYP1A2CYP2C9CYP2C19CYP3A4LMNA
SCHEMBL9261134 0.76 PKM (0.69) CYP1A2CYP2C9CYP2C19CYP3A4NOTUM
SCHEMBL3253283 0.76 CYP3A4 (0.70) CYP1A2CYP2C9CYP2C19CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383668-B2 11-beta-hydroxysteroid dehydrogenase type 1 active compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-8153798-B2 Indole- and benzimidazole amides as hydroxysteroid dehydrogenase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-10 US disclosed
US-8138342-B2 11β-hydroxysteroid dehydrogenase type 1 active spiro compounds High Point Pharmacueticals, LLC (US) 2012-03-20 US disclosed
US-20120010194-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2012-01-12 US disclosed
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC (US) 2011-12-22 US disclosed
US-8053431-B2 Pharmaceutical use of substituted amides HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
US-8048908-B2 11β-hydroxysteroid dehydrogenase type 1 active compounds HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-01 US disclosed
EP-2239012-A2 Pharmaceutical use of substituted amides High Point Pharmaceuticals, LLC (US) 2010-10-13 EP disclosed
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-05 US disclosed
US-7723323-B2 Pharmaceutical use of fused 1,2,4-triazoles HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US disclosed
WO-2004089367-A1 PHARMACEUTICAL USE OF SUBSTITUTED 1,2,4-TRIAZOLES NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2002-11-07 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-20020019412-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-02-14 US disclosed
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-03 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
US-6225329-B1 USEFUL IN THE TREATMENT OF TYPE I DIABETES, TYPE II DIABETES, IMPAIRED GLUCOSE TOLERANCE, INSULIN AUTOIMMUNITY DISEASES WITH DYSFUNCTIONS OF THE COAGULATION SYSTEM, ALLERGIC DISEASES NOVO NORDISK A/S (DK) 2001-05-01 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 (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-20020165398-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRO CYP1A2 1068/4885CYP2C9 2987/4885CYP2C19 2636/4885
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA CYP1A2 1107/4885CYP2C9 3024/4885CYP2C19 2661/4885
US-20120010194-A1 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Active Compounds HSD11B1, HSD11B2, HSD3B1 CYP1A2 95/4885CYP2C9 188/4885CYP2C19 120/4885
US-20020019412-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA CYP1A2 1107/4885CYP2C9 3024/4885CYP2C19 2661/4885
US-20110312949-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD3B1, HSD11B2 CYP1A2 79/4885CYP2C9 120/4885CYP2C19 68/4885
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HSD3B1, HSD11B2, HSD3B2 CYP1A2 74/4885CYP2C9 230/4885CYP2C19 123/4885
US-20020002199-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) PTPRCAP, PTPRS, PTPRA CYP1A2 1107/4885CYP2C9 3024/4885CYP2C19 2661/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 CYP1A2 411/4885CYP2C9 1627/4885CYP2C19 1083/4885

“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.