SCHEMBL2929592

SCHEMBL2929592

[c]1nc(-c2c[nH]c3ccccc23)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
TDO2 P48775 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
BRD4 O60885 1/20 0.43
NR4A2 P43354 1/20 0.42

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
SCHEMBL28399449 0.75 MEN1 (0.65) IMPDH2HSD17B10MAPK1TDO2MAPT
SCHEMBL981500 0.72 IMPDH2 (0.47) IMPDH2HSD17B10MAPK1TDO2MAPT
SCHEMBL1202543 0.72 IMPDH2 (0.63) IMPDH2HSD17B10MAPK1MAPTMEN1
SCHEMBL28228155 0.72 HSD17B10 (0.59) IMPDH2HSD17B10MAPK1TDO2MAPT
SCHEMBL1567530 0.71 KDM4E (0.46) HSD17B10MAPK1MAPTTDP1ALDH1A1
SCHEMBL8559737 0.71 MAPT (0.51) IMPDH2HSD17B10MAPK1TDO2MAPT
SCHEMBL16481896 0.70 IGF1R (0.49) IMPDH2HSD17B10MAPK1TDO2MAPT
SCHEMBL15903807 0.69 TDO2 (0.56) IMPDH2HSD17B10MAPK1TDO2MAPT
SCHEMBL20017674 0.68 PDGFRB (0.65) IMPDH2HSD17B10MAPK1TDO2MAPT
SCHEMBL1563156 0.68 HSD17B10 (0.50) IMPDH2HSD17B10MAPK1TDO2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US claimed
EP-1285651-B1 MELANIN CONCENTRATING HORMONE ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2010-09-01 EP disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7229986-B2 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2007-06-12 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP disclosed
US-20050245571-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-03 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 EP disclosed
EP-1437351-A1 AMINE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-07-14 EP disclosed
US-20040077628-A1 Melanin-concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-20030158177-A1 Treating or preventing obesity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1285651-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2003-02-26 EP disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP disclosed
EP-1227090-A1 AMINE DERIVATIVES Tadeka Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed
US-6329389-B1 HETEROCYCLIC AMINES AND DERIVATIVES, SOMATOSTATIN AND ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-11 US disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 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 (5 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-20040077628-A1 Melanin-concentrating hormone antagonist MCHR1, MC1R, MCHR2 IMPDH2 4215/4885HSD17B10 366/4885MAPK1 817/4885
US-20060128690-A1 Amine derivative MC1R, MC2R, MC4R IMPDH2 2970/4885HSD17B10 439/4885MAPK1 766/4885
US-20030158177-A1 Treating or preventing obesity MCHR1, MC1R, NPY1R IMPDH2 4330/4885HSD17B10 332/4885MAPK1 740/4885
US-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 IMPDH2 4568/4885HSD17B10 332/4885MAPK1 1166/4885
US-20050245571-A1 Amine derivative NPY1R, SSTR1, SSTR5 IMPDH2 2720/4885HSD17B10 2125/4885MAPK1 1269/4885

“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.