SCHEMBL5327698

SCHEMBL5327698

COc1ccc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.62
THRB P10828 9/20 0.62
THRA P10827 4/20 0.45
PDE7A Q13946 1/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 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
SCHEMBL3229107 0.88 THRB (0.52) RORCTHRBTHRAPDE7AMAPT
SCHEMBL4965062 0.86 THRB (0.48) RORCTHRBTHRAMAPTSMN1; SMN2
SCHEMBL7095446 0.85 THRB (0.47) RORCTHRBTHRAMAPTSMN1; SMN2
SCHEMBL2047460 0.85 THRB (0.51) RORCTHRBTHRASMN1; SMN2LMNA
SCHEMBL14264313 0.84 RORC (0.56) RORCTHRBTHRA
SCHEMBL8891500 0.84 THRA (0.65) THRBTHRA
SCHEMBL18998671 0.83 MEN1 (0.51) RORCTHRBPDE7AMAPTHPGD
SCHEMBL8891859 0.83 THRB (0.44) RORCTHRBTHRAPDE7A
SCHEMBL14264309 0.82 RORC (0.53) RORCTHRBTHRAMAPT
SCHEMBL7256878 0.82 KIF11 (0.45) RORCTHRBTHRASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007132475-A1 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2007-11-22 WO disclosed
EP-1297833-B1 Indole carboxylic acids as thyroid receptor ligands PFIZER PROD INC (US) 2005-12-21 EP disclosed
US-6723744-B2 FOR THERAPY OF OBESITY, OVERWEIGHT CONDITION, HYPERLIPIDEMIA, GLAUCOMA, CARDIAC ARRHYTHMIAS, SKIN DISORDER, THYROID DISEASE, HYPOTHYROIDISM, THYROID CANCER, DIABETES, ATHEROSCLEROSIS, HYPERTENSION, CORONARY HEART DISEASE, HYPERCHOLESTEREMIA PFIZER, INC. 2004-04-20 US disclosed
US-20030078289-A1 Indole carboxylic acids as thyroid receptor ligands ASPNES GARY E (US) 2003-04-24 US disclosed
EP-1297833-A1 Indole carboxylic acids as thyroid receptor ligands Pfizer Products Inc. (US) 2003-04-02 EP disclosed
EP-0580550-B1 Oxamic acid derivatives as hypocholesteremic agents CIBA GEIGY AG (CH) 1997-10-22 EP disclosed
US-5654468-A ANTILIPID, ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5569674-A ANTICHOLESTEROL AGENTS CIBA-GEIGY CORPORATION (US) 1996-10-29 US disclosed
US-5401772-A Anticholesterol agents with aromatic amines CIBA-GEIGY CORPORATION (US) 1995-03-28 US disclosed
EP-0580550-A1 Oxamic acid derivatives as hypocholesteremic agents CIBA-GEIGY AG (CH) 1994-01-26 EP 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-20030078289-A1 Indole carboxylic acids as thyroid receptor ligands THRA, MC1R, THRB RORC 619/4885THRB 3/4885THRA 1/4885

“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.