SCHEMBL5678286

SCHEMBL5678286

COc1ccc2cc(C(=O)c3c[nH]cn3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR2 P34972 1/20 0.44
HPGDS O60760 4/20 0.44
PLAU P00749 1/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP1B1 Q16678 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5678124 0.88 CYP1A2 (0.44) KDM4ECYP1A2ALDH1A1CYP2C19CNR2
SCHEMBL11053630 0.87 HPGD (0.53) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL11051417 0.84 CNR2 (0.54) CNR2MEN1KMT2ANPC1
SCHEMBL5750943 0.82 MEN1 (0.51) KDM4EALDH1A1HPGDHSD17B10CNR2
SCHEMBL5751995 0.80 ALOX5 (0.50) KDM4ECYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL5752322 0.79 L3MBTL1 (0.41) CYP1A2ALDH1A1CYP2C19CYP3A4HTT
SCHEMBL5750575 0.79 L3MBTL1 (0.41) CYP1A2ALDH1A1CYP2C19CNR2CYP3A4
SCHEMBL11810869 0.78 KDM4E (0.75) KDM4ECYP1A2ALDH1A1HPGDCYP2C19
SCHEMBL5751675 0.76 TUBB4A (0.34)
SCHEMBL5753752 0.76 L3MBTL1 (0.39) KDM4ECYP1A2ALDH1A1CYP2C19CNR2

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-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
EP-1227085-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR TAKEDA PHARMACEUTICAL (JP) 2006-03-15 EP disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 EP disclosed
US-6800778-B1 OPTICALLY ACTIVE CYCLIC PHOSPHORUS COMPOUND USED AS REAGENT FOR OPTICAL RESOLUTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-10-05 US disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 US disclosed
US-6573289-B1 Naphthalene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-03 US disclosed
EP-1227085-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR Takeda Chemical Industries, Ltd. (JP) 2002-07-31 EP disclosed
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 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 (1 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 KDM4E 2766/4885CYP1A2 91/4885ALDH1A1 146/4885

“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.