SCHEMBL14867293

SCHEMBL14867293

COc1ccc2c(I)c(-c3ccc(C)cc3)[nH]c(=O)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51
MAOB P27338 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TNKS2 Q9H2K2 2/20 0.44
PARP15 Q460N3 1/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
TNKS O95271 1/20 0.42
SERPINE1 P05121 1/20 0.42
STING1 Q86WV6 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL12324329 0.93 KDM4E (0.48) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL14867266 0.86 SERPINE1 (0.58) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL14867256 0.85 KDM4E (0.44) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL14867294 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL14867283 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL14867286 0.85 KDM4E (0.50) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL14867284 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL17244330 0.83 KDM4E (0.48) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL14871604 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL14867300 0.80 KDM4E (0.45) KDM4EALDH1A1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 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 (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-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME GNAQ, HCCS, SDHA KDM4E 1796/4885ALDH1A1 2507/4885HPGD 61/4885

“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.