SCHEMBL3082205

SCHEMBL3082205

CCCC(O)CN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MEN1 O00255 2/20 0.62
ATM Q13315 2/20 0.58
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 2/20 0.47
SLC6A4 P31645 1/20 0.42
KDM4E B2RXH2 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
USP2 O75604 1/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL19710826 1.00 KMT2A (0.62) KMT2AMEN1ATMMAPTL3MBTL1
SCHEMBL17285901 0.98 KMT2A (0.67) KMT2AMEN1ATMMAPTL3MBTL1
SCHEMBL19432467 0.95 KMT2A (0.56) KMT2AMEN1ATMMAPTL3MBTL1
SCHEMBL2800684 0.91 KMT2A (0.48) KMT2AMEN1ATMMAPTL3MBTL1
SCHEMBL11668191 0.91
SCHEMBL15187182 0.87 KMT2A (0.58) KMT2AMEN1ATMMAPTL3MBTL1
SCHEMBL3082290 0.87 KMT2A (0.58) KMT2AMEN1ATMMAPTL3MBTL1
SCHEMBL15187254 0.87 KMT2A (0.58) KMT2AMEN1ATMMAPTL3MBTL1
SCHEMBL5967892 0.85 KMT2A (0.61) KMT2AMEN1ATMMAPTL3MBTL1
SCHEMBL15187344 0.85 KMT2A (0.61) KMT2AMEN1ATMMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273802-A1 NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2010-10-28 US claimed
US-20090030019-A1 PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIGUE (C.N.R.S.) 2009-01-29 US claimed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-10428029-B2 Isoxazole carboxamide compounds Epizyme, Inc. (US) 2019-10-01 US disclosed
US-9994515-B2 Aryl naphthyl methanone oxime(s) and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-06-12 US disclosed
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-26 US disclosed
US-20170190676-A1 Isoxazole Carboxamide Compounds Epizyme, Inc. (US) 2017-07-06 US disclosed
US-20160304442-A1 ARYL NAPHTHYL METHANONE OXIME(S) AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-10-20 US disclosed
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 WO disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (10 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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KMT2A 1679/4885MEN1 1274/4885ATM 614/4885
US-10428029-B2 Isoxazole carboxamide compounds SMYD3, SMYD2, SNRPD3 KMT2A 580/4885MEN1 3284/4885ATM 1643/4885
US-20160304442-A1 ARYL NAPHTHYL METHANONE OXIME(S) AND PROCESS FOR PREPARATION THEREOF MCL1, CYP11B1, CYP21A2 KMT2A 786/4885MEN1 197/4885ATM 528/4885
US-20100273802-A1 NEW PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES PNP, TYMP, DPYD KMT2A 2565/4885MEN1 4577/4885ATM 3030/4885
US-20170190676-A1 Isoxazole Carboxamide Compounds SMYD3, SMYD2, SNRPD3 KMT2A 580/4885MEN1 3284/4885ATM 1643/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA KMT2A 1077/4885MEN1 2852/4885ATM 1347/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 KMT2A 355/4885MEN1 3280/4885ATM 2669/4885
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS ACAT1, ACAT2, FNTB KMT2A 882/4885MEN1 3830/4885ATM 1994/4885
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG KMT2A 1349/4885MEN1 2511/4885ATM 521/4885
US-20090030019-A1 PURINE DERIVATIVES HAVING, IN PARTICULAR, ANTI-PROLIFERATIVE PROPERTIES, AND THEIR BIOLOGICAL USES PNP, TYMP, NUDT1 KMT2A 2144/4885MEN1 4484/4885ATM 3372/4885

“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.