SCHEMBL5041177

SCHEMBL5041177

Cc1c([N+](=O)[O-])cc(Br)c(O)c1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
GPR35 Q9HC97 7/20 0.50
ALDH1A1 P00352 3/20 0.44
ERN1 O75460 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TTR P02766 2/20 0.40
ABCC3 O15438 1/20 0.40
ABCC4 O15439 1/20 0.40
NR1I2 O75469 1/20 0.40
ABCB11 O95342 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
RARB P10826 1/20 0.40
COMT P21964 1/20 0.40
SLC6A2 P23975 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
SCHEMBL10495967 0.85 CYP1A2 (0.70) CYP1A2GPR35ALDH1A1ERN1TTR
SCHEMBL9781173 0.82 GPR35 (0.45) CYP1A2GPR35ALDH1A1ERN1CA12
SCHEMBL30954158 0.82 CYP1A2 (0.56) CYP1A2GPR35ALDH1A1ERN1TDP1
SCHEMBL16346720 0.80 ERN1 (0.47) CYP1A2GPR35ALDH1A1ERN1CA12
SCHEMBL17378802 0.80 SMN1; SMN2 (0.53) CYP1A2GPR35ALDH1A1ERN1CA1
SCHEMBL2925564 0.80 ERN1 (0.59) CYP1A2GPR35ERN1
SCHEMBL700219 0.79 CYP1A2 (0.56) CYP1A2GPR35ALDH1A1CA2TDP1
SCHEMBL29369262 0.79 CYP1A2 (0.56) CYP1A2GPR35ALDH1A1CA2TDP1
SCHEMBL11145998 0.78 CYP1A2 (0.59) CYP1A2GPR35ALDH1A1TDP1CYP2D6
SCHEMBL2051718 0.78 CYP1A2 (0.59) CYP1A2GPR35ALDH1A1TDP1CYP2D6

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
EP-4561563-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-06-04 EP disclosed
CN-119947718-A Tricyclic aryl derivatives, and compositions and methods thereof 昂胜医疗科技公司 2025-05-06 CN disclosed
WO-2024026129-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
US-7342127-B2 Substituted anilide ligands for the thyroid receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-11 US disclosed
EP-1601641-A4 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2007-03-21 EP disclosed
EP-1601641-A2 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR Bristol-Myers Squibb Company (US) 2005-12-07 EP disclosed
US-20040180940-A1 Substituted anilide ligands for the thyroid receptor KARO BIO AB (SE) 2004-09-16 US disclosed
WO-2004067482-A2 SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-12 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-20040180940-A1 Substituted anilide ligands for the thyroid receptor TSHR, TRHR, THRA CYP1A2 1743/4885GPR35 775/4885ALDH1A1 1426/4885

“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.