SCHEMBL4104432

SCHEMBL4104432

N#Cc1ccc(Oc2cccc(C=O)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
PARP15 Q460N3 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
SRC P12931 1/20 0.45
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
IL18 Q14116 1/20 0.44
MAOA P21397 7/20 0.43
MAOB P27338 7/20 0.43
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6557043 0.93 MAOA (0.51) CYP19A1PARP15PARP10PARP2SRC
SCHEMBL6153715 0.89 SRC (0.46) SRCRAB9AMEN1LMNAMAPT
SCHEMBL6856729 0.86 SRC (0.56) SRCRAB9AMEN1LMNAMAPT
SCHEMBL3163442 0.84 PGR (0.47) CYP19A1PARP10LMNAKDM4EALDH1A1
SCHEMBL6853633 0.83 SRC (0.53) PARP10SRCRAB9AMEN1LMNA
SCHEMBL11222905 0.83 MAOB (0.59) SRCRAB9AMEN1LMNAMAPT
SCHEMBL505351 0.83 PARP10 (0.53) CYP19A1PARP15PARP10PARP2RAB9A
SCHEMBL31599170 0.83 SRC (0.53) PARP10SRCRAB9AMEN1LMNA
SCHEMBL30185052 0.83 CYP19A1 (0.54) CYP19A1SRCRAB9AMEN1LMNA
SCHEMBL28686276 0.83 CYP19A1 (0.54) CYP19A1SRCRAB9AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172560-A1 PROCESS FOR PREPARATION OF CRISABOROLE GLENMARK LIFE SCIENCES LIMITED (IN) 2020-06-04 US disclosed
EP-1882684-B1 PYRROLIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-12-10 EP disclosed
US-7585886-B2 Pyrrolidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20090062366-A1 Pyrrolidine derivative or salt thereof ASTELLAS PHARAMA INC. (JP) 2009-03-05 US disclosed
EP-1882684-A1 PYRROLIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-01-30 EP disclosed
EP-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 EP disclosed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US disclosed
US-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 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 (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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 CYP19A1 1751/4885PARP15 2236/4885PARP10 2057/4885
US-20090062366-A1 Pyrrolidine derivative or salt thereof CASR, CYP2R1, PTH1R CYP19A1 1203/4885PARP15 2102/4885PARP10 1877/4885
US-20200172560-A1 PROCESS FOR PREPARATION OF CRISABOROLE CFB, F13B, C9 CYP19A1 306/4885PARP15 1819/4885PARP10 3652/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 CYP19A1 1345/4885PARP15 2414/4885PARP10 2560/4885

“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.