SCHEMBL877589

SCHEMBL877589

Cc1nc(CC(=O)O)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP19A1 P11511 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
AKR1B1 P15121 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL10676751 0.83 NOTUM (0.36) KDM4EALDH1A1L3MBTL1MEN1OPRM1
SCHEMBL6104782 0.81 ACSS2 (0.34) TDP1MEN1OPRM1OPRD1KMT2A
SCHEMBL950593 0.80 TNF (0.31)
SCHEMBL3502260 0.79 GRN (0.34) MEN1OPRM1OPRD1KMT2ASMN1; SMN2
SCHEMBL10456979 0.77 SMN1; SMN2 (0.36) KDM4ETDP1MEN1KMT2ACYP19A1
SCHEMBL6105313 0.76 ALDH1A1 (0.36) KDM4EALDH1A1KMT2ACYP2C19HIF1A
SCHEMBL3503135 0.75 BRS3 (0.35)
SCHEMBL7715187 0.75 ALDH1A1 (0.34) KDM4EALDH1A1TDP1MEN1OPRM1
SCHEMBL3501940 0.74
SCHEMBL3502442 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-7691859-B2 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2010-04-06 US disclosed
EP-1382607-B1 Prenyl transferase inhibitors IPSEN PHARMA (FR) 2009-08-19 EP disclosed
US-20080176835-A1 Prenyl Transferase Inhibitors BIOMEASURE, INCORPORATED 2008-07-24 US disclosed
US-7361656-B2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2008-04-22 US disclosed
US-7084135-B1 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2006-08-01 US disclosed
US-20060142275-A1 Prenyl transferase inhibitors IPSEN PHARMA S.A.S. (FR) 2006-06-29 US disclosed
EP-1140942-B1 PRENYL TRANSFERASE INHIBITORS CONSEILS DE RECH SET D APPLIC (FR) 2004-03-10 EP disclosed
EP-1382607-A2 Prenyl transferase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-21 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-20080176835-A1 Prenyl Transferase Inhibitors FNTA, FNTB, RCE1 KDM4E 1956/4885ALDH1A1 3942/4885POLB 3510/4885
US-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D KDM4E 1159/4885ALDH1A1 1228/4885POLB 3240/4885
US-20060142275-A1 Prenyl transferase inhibitors FNTA, FNTB, RCE1 KDM4E 1956/4885ALDH1A1 3942/4885POLB 3510/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D KDM4E 1159/4885ALDH1A1 1228/4885POLB 3240/4885

“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.