SCHEMBL2442735

SCHEMBL2442735

Cc1cc(Br)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
TSHR P16473 5/20 0.48
CYP3A4 P08684 3/20 0.48
ALDH1A1 P00352 3/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.45
GPR35 Q9HC97 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CTSB P07858 1/20 0.43
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21566 0.89 CYP1A2 (0.57) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL8793429 0.89 CYP1A2 (0.52) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL29727863 0.89 CYP1A2 (0.57) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL30122458 0.89 CYP1A2 (0.52) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL1198631 0.89 CYP1A2 (0.52) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL8155419 0.85 CYP1A2 (0.48) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL6036755 0.84 CYP1A2 (0.52) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL1412364 0.84 CYP1A2 (0.47) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL3646028 0.84 CYP1A2 (0.47) CYP1A2TSHRCYP3A4ALDH1A1RECQL
SCHEMBL2800695 0.84 CYP3A4 (0.52) CYP1A2TSHRCYP3A4ALDH1A1RECQL

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994580-B2 Phthalocyanine compound and method of preparing the same, color filter containing phthalocyanine compound, and coloring composition DIC CORPORATION (JP) 2018-06-12 US disclosed
US-20170327510-A1 PHTHALOCYANINE COMPOUND AND METHOD OF PREPARING THE SAME, COLOR FILTER CONTAINING PHTHALOCYANINE COMPOUND, AND COLORING COMPOSITION DIC CORPORATION (JP) 2017-11-16 US disclosed
WO-2014096388-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS KINASE INHIBITORS SELVITA S.A. (PL) 2014-06-26 WO disclosed
EP-1997809-B1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC (US) 2014-05-14 EP disclosed
US-8518983-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-08-27 US disclosed
EP-1997810-B1 Indazoles, benzotriazoles and N-analogs thereof as p38 kinase inhibitors ARRAY BIOPHARMA INC (US) 2013-07-31 EP disclosed
EP-2039685-B1 Heterobicyclic compounds as P38 inhibitors ARRAY BIOPHARMA INC (US) 2012-12-26 EP disclosed
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed
US-8026233-B2 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-09-27 US disclosed
EP-1883404-A1 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-02-06 EP disclosed
WO-2007126871-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-11-08 WO disclosed
EP-1606283-A4 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-05-23 EP disclosed
CN-1295207-C Method for preparing 4-dibromo-6-nitro methylbenzene SHANGHAI CHEMICAL REAGENT RES (CN) 2007-01-17 CN disclosed
US-20060264431-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2006-11-23 US disclosed
WO-2006122230-A1 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-16 WO disclosed
EP-1606283-A2 P38 INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2005-12-21 EP disclosed
CN-1623974-A Method for preparing 4-dibromo-6-nitro methylbenzene SHANGHAI INST OF CHEMICAL REAG (CN) 2005-06-08 CN disclosed
US-20040192653-A1 P38 inhibitors and methods of use thereof ARRAY BIOPHARMA INC. 2004-09-30 US disclosed
WO-2004078116-A2 P38 INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2004-09-16 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 (3 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-20060264431-A1 P38 inhibitors and methods of use thereof MAPK1, MAP3K1, MAP3K7 CYP1A2 2572/4885TSHR 3774/4885CYP3A4 3886/4885
US-20040192653-A1 P38 inhibitors and methods of use thereof MAPK1, MAPK3, MAPK8 CYP1A2 2617/4885TSHR 3869/4885CYP3A4 4023/4885
US-20170327510-A1 PHTHALOCYANINE COMPOUND AND METHOD OF PREPARING THE SAME, COLOR FILTER CONTAINING PHTHALOCYANINE COMPOUND, AND COLORING COMPOSITION KMT5C, KMT5B, MAP1LC3C CYP1A2 3911/4885TSHR 1775/4885CYP3A4 3059/4885

“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.