SCHEMBL4159068

SCHEMBL4159068

Cc1ccccc1C1=NC(C)(C)CO1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 2/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 2/20 0.44
IL2 P60568 1/20 0.41
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.36
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL11486647 0.93 KDM4E (0.51) KDM4EALDH1A1HTTATMIL2
SCHEMBL18380643 0.89 KDM4E (0.61) KDM4EALDH1A1HTTATMLMNA
SCHEMBL14668870 0.86 KDM4E (0.56) KDM4EALDH1A1HTTATMIL2
SCHEMBL10986166 0.83 KDM4E (0.49) KDM4EHTTIL2LMNAMAPT
SCHEMBL11085738 0.83 KDM4E (0.42) KDM4EALDH1A1HTTATMIL2
SCHEMBL11080851 0.83 KDM4E (0.42) KDM4EALDH1A1HTTATMIL2
SCHEMBL8855987 0.81 KDM4E (0.58) KDM4EALDH1A1HTTATMIL2
SCHEMBL7112634 0.81 KDM4E (0.53) KDM4EALDH1A1HTTATMIL2
SCHEMBL31542580 0.81 KDM4E (0.53) KDM4EALDH1A1HTTATMNPC1
SCHEMBL799202 0.81 KDM4E (0.53) KDM4EALDH1A1HTTATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802594-B1 METAL COMPLEXES WITH DIBENZO[F,H]QUINOXALINES UDC IRELAND LTD (IE) 2017-04-19 EP disclosed
US-8212048-B2 Method of producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-03 US disclosed
US-20110301235-A1 ORGANOSELENIUM COMPOUNDS AND USES THEREOF ALQUEST THERAPEUTICS, INC. (US) 2011-12-08 US disclosed
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US disclosed
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 US disclosed
US-20080015357-A1 PROCESS FOR THE PREPARATION OF BORONIC ACIDS AND DERIVATIVES DIPHARMA FRANCIS S.R.L. (IT) 2008-01-17 US disclosed
EP-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 EP disclosed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 US disclosed
EP-0984963-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-03-15 EP disclosed
WO-1998054180-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-12-03 WO disclosed
US-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed
EP-0461079-B1 Substituted phthalides and heterocyclic phthalides CIBA GEIGY AG (CH) 1997-07-16 EP disclosed
US-5627138-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5627137-A HERBICIDES SANDOZ LTD. (CH) 1997-05-06 US disclosed
US-5561101-A HERBICIDES SANDOZ LTD. (CH) 1996-10-01 US disclosed
US-5506192-A HERBICIDES SANDOZ LTD. 1996-04-09 US disclosed
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed
EP-0461079-A2 Substituted phthalides and heterocyclic phthalides SANDOZ LTD. (CH) 1991-12-11 EP 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 (4 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-20080015357-A1 PROCESS FOR THE PREPARATION OF BORONIC ACIDS AND DERIVATIVES GRB7, BRD7, GRM7 KDM4E 292/4885ALDH1A1 2356/4885HTT 4578/4885
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 KDM4E 2286/4885ALDH1A1 834/4885HTT 4289/4885
US-20110301235-A1 ORGANOSELENIUM COMPOUNDS AND USES THEREOF GPX4, GPX1, HMGCR KDM4E 4240/4885ALDH1A1 498/4885HTT 550/4885
US-20090043096-A1 METHOD OF PRODUCING AROMATIC COMPOUND AHR, CYP1A1, ARNT KDM4E 3177/4885ALDH1A1 779/4885HTT 1686/4885

“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.