SCHEMBL730623

SCHEMBL730623

COC(=O)c1nc2ccc(O)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
HSD17B1 P14061 4/20 0.58
HSD17B2 P37059 4/20 0.58
MAOB P27338 14/20 0.58
DYRK1A Q13627 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL8403934 0.86 HSD17B1 (0.65) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL13805533 0.84 HSD17B1 (0.55) HSD17B1HSD17B2MAOBCYP1A2CYP3A4
SCHEMBL20832544 0.83 ALDH1A1 (0.67) ALDH1A1MAOB
SCHEMBL4936252 0.83 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7158014 0.83 MAPT (0.64) ALDH1A1HSD17B1HSD17B2MAOBDYRK1A
SCHEMBL25221815 0.83 ALDH1A1 (0.63) ALDH1A1MAOBDYRK1A
SCHEMBL30040343 0.83 MAPT (0.64) ALDH1A1MAOBDYRK1A
SCHEMBL20899481 0.83 ALDH1A1 (0.63) ALDH1A1DYRK1ACYP1A2CYP3A4CYP2C9
SCHEMBL25219141 0.83 MAPT (0.64) ALDH1A1MAOBDYRK1A
SCHEMBL30039055 0.83 ALDH1A1 (0.63) ALDH1A1MAOBDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079769-A Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-12-15 CN disclosed
CN-106928211-B Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-09-08 CN disclosed
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9353111-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-20160122321-A1 Carboxamide Compounds and Methods for Using the Same MIDCAP FINANCIAL TRUST 2016-05-05 US disclosed
US-9255085-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-9255085-B2 Carboxamide compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20080261318-A1 Signalling Compounds For Use In Methods Of Detecting Hydrogen Peroxide LUMIGEN, INC. (US) 2008-10-23 US disclosed
US-7390670-B2 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. (US) 2008-06-24 US disclosed
EP-1594855-A4 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC (US) 2008-04-16 EP disclosed
EP-1594855-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN, INC. (US) 2005-11-16 EP disclosed
US-6919463-B2 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2005-07-19 US disclosed
WO-2004074810-A2 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC. (US) 2004-09-02 WO disclosed
US-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN INC. 2004-09-02 US disclosed
US-20040166539-A1 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. 2004-08-26 US disclosed
EP-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 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 (2 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-20160122321-A1 Carboxamide Compounds and Methods for Using the Same PC, AK2, PRKAA2 ALDH1A1 1247/4885HSD17B1 3915/4885HSD17B2 3710/4885
US-20040171098-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LPO, HAO2, HAO1 ALDH1A1 252/4885HSD17B1 118/4885HSD17B2 143/4885

“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.