SCHEMBL2673207

SCHEMBL2673207

CCc1cc(-c2ncon2)c(C)nc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ GRM1 Q13255 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HCRTR1 O43613 2/20 0.30
▸ HCRTR2 O43614 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ PIK3R1 P27986 1/20 0.30
▸ PIK3CA P42336 1/20 0.30

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
SCHEMBL2674115 0.79 APOBEC3A (0.47) APOBEC3AAPOBEC3GKDM4ENPC1LMNA
SCHEMBL2673093 0.76 APOBEC3A (0.33) APOBEC3AAPOBEC3GGRM1PIK3R1PIK3CA
SCHEMBL2672868 0.73 BRD4 (0.37) APOBEC3AAPOBEC3GKDM4EGRM1RAB9A
SCHEMBL2672881 0.73 APOBEC3A (0.38) APOBEC3AAPOBEC3GKDM4ENPC1LMNA
SCHEMBL2673740 0.72 APOBEC3A (0.37) APOBEC3AAPOBEC3GPDE10AKDM4ENPC1
SCHEMBL2673340 0.72 MAPT (0.39) APOBEC3AAPOBEC3GKDM4ENPC1LMNA
SCHEMBL2673810 0.70 HSD17B10 (0.40) APOBEC3AAPOBEC3GKDM4EGRM1SMN1; SMN2
SCHEMBL5709766 0.69 SMPD3 (0.38) APOBEC3AAPOBEC3GKDM4EGRM1ALDH1A1
SCHEMBL2673449 0.69 CYP3A4 (0.34) KDM4ENPC1LMNARAB9AALDH1A1
SCHEMBL2673201 0.69 RAB9A (0.42) KDM4ENPC1LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 — — EP claimed
EP-1199065-A2 Hair dye Henkel Kommanditgesellschaft auf Aktien (DE) 2002-04-24 — — EP claimed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 — — EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 — — US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 — — US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 — — US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 — — EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 — — 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 (2 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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 APOBEC3A 200/4885APOBEC3G 366/4885PDE10A 2650/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 APOBEC3A 200/4885APOBEC3G 366/4885PDE10A 2650/4885

“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.

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