SCHEMBL2533362

SCHEMBL2533362

O=C(O)N1Cc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.64
HSP90AA1 P07900 2/20 0.52
HSP90AB1 P08238 2/20 0.52
HSP90B1 P14625 1/20 0.52
TRAP1 Q12931 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
NAMPT P43490 5/20 0.50
HDAC8 Q9BY41 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR2 P34972 1/20 0.48
TFPI2 P48307 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
TAS1R2 Q8TE23 3/20 0.47

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
SCHEMBL29758685 1.00 NOTUM (0.64) NOTUMHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL322928 0.85 NOTUM (0.70) NOTUMMEN1MAPTKMT2ATAAR1
Hydrochloric Acid SCHEMBL21496871 0.83 NOTUM (0.68) NOTUMMEN1MAPTKMT2ATAAR1
SCHEMBL27724288 0.82 NOTUM (0.67) NOTUMHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL23114040 0.82 RIPK1 (0.66) NOTUMMEN1MAPTKMT2ATAAR1
Hydrochloric Acid SCHEMBL28278641 0.82 NOTUM (0.66) NOTUMMEN1MAPTKMT2ATAAR1
SCHEMBL29375980 0.82 KMT2A (0.46) NOTUMHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL28695007 0.82 KMT2A (0.46) NOTUMHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL4167985 0.79 NAMPT (0.64) NOTUMHSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3704956 0.78 NOTUM (0.61) NOTUMHSP90AA1HSP90AB1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US claimed
EP-3506983-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME Mebias Discovery LLC (US) 2019-07-10 EP claimed
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC 2019-06-27 US claimed
CN-109843379-A Substituted ureas and methods of making and using the same 梅比斯发现公司 2019-06-04 CN claimed
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-03-07 US claimed
EP-3169682-B1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-12-26 EP claimed
WO-2018045229-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-03-08 WO claimed
CN-106967213-A Eight-arm polyethylene glycol, preparation method, functionalized derivative and modified biologically-relevant substance 厦门赛诺邦格生物科技股份有限公司 2017-07-21 CN claimed
EP-2931721-B1 THIAZOLE DERIVATIVES AS INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
WO-2007080140-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES AND THEIR USE AS HISTAMINE H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-19 WO claimed
CN-1898234-A Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORP (US) 2007-01-17 CN claimed
US-20060135528-A1 Piperazinyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2006-06-22 US claimed
WO-2006063718-A1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO claimed
EP-1654225-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS Amgen, Inc. (US) 2006-05-10 EP claimed
US-20050256161-A1 Melanin concentrating hormone receptor antagonists AMGEN INC. 2005-11-17 US claimed
WO-2005019240-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN, INC. (US) 2005-03-03 WO claimed
US-20030064915-A1 Therapeutic peptides for demyelinating conditions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-03 US claimed
WO-2002059143-A2 THERAPEUTIC PEPTIDES FOR DEMYELINATING CONDITIONS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-08-01 WO claimed

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-20060135528-A1 Piperazinyl-pyridine derivatives HRH4, HRH3, H1-3 NOTUM 4211/4885HSP90AA1 2354/4885HSP90AB1 2405/4885
US-20190070149-A1 PRIMARY AMINES AND DERIVATIVES THEREOF AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HTR5A, HTR2A, HTR1A NOTUM 2411/4885HSP90AA1 1288/4885HSP90AB1 1534/4885
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME UMPS, METTL3, UTS2R NOTUM 540/4885HSP90AA1 3303/4885HSP90AB1 3922/4885
US-20050256161-A1 Melanin concentrating hormone receptor antagonists MCHR1, MC1R, NPY1R NOTUM 4137/4885HSP90AA1 3303/4885HSP90AB1 3343/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R NOTUM 540/4885HSP90AA1 3303/4885HSP90AB1 3922/4885

“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.