SCHEMBL7532704

SCHEMBL7532704

Cc1cc(I)c(N)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
PKM P14618 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
G6PD P11413 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
CCR6 P51684 1/20 0.42
HIF1A Q16665 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
SCHEMBL3077884 0.79 ALDH1A1 (0.50) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL7873560 0.79 KDM4E (0.50) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL30561864 0.79 CYP3A4 (0.55) TSHRCASP1ALDH1A1MAPTKDM4E
SCHEMBL841555 0.79 CYP3A4 (0.55) TSHRCASP1ALDH1A1MAPTKDM4E
SCHEMBL2589677 0.77 KDM4E (0.55) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL12658291 0.77 KDM4E (0.48) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL29673743 0.77 CYP3A4 (0.60) TSHRCASP1PDE10AALDH1A1MAPT
SCHEMBL7525100 0.77 CA1 (0.37) TSHRALDH1A1MAPTKDM4EALOX15
SCHEMBL19738526 0.77 CYP3A4 (0.39) TSHRCASP1ALDH1A1MAPTKDM4E
SCHEMBL15449430 0.77 ALDH1A1 (0.55) TSHRCASP1PDE10AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002003938-A1 IODO-CONTAINING ORGANIC COUPLERS FOR USE IN OXIDATIVE HAIR DYEING CLAIROL INCORPORATED (US) 2002-01-17 WO claimed
US-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-06 US disclosed
US-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-06 US disclosed
US-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-06 US disclosed
EP-2677865-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION Icahn School of Medicine at Mount Sinai (US) 2014-01-01 EP disclosed
WO-2012116170-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ZHOU MING-MING (US) 2012-08-30 WO disclosed
WO-2002003938-A1 IODO-CONTAINING ORGANIC COUPLERS FOR USE IN OXIDATIVE HAIR DYEING CLAIROL INCORPORATED (US) 2002-01-17 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-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION NFKBIA, NFKB2, IKBKG TSHR 3700/4885CASP1 1473/4885PDE10A 3624/4885

“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.