Sugi Predict

Sugi Predict / Compounds / SCHEMBL1662655

SCHEMBL1662655

SCHEMBL1662655

Cn1cc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.51
▸ TDP1 Q9NUW8 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
Hydrochloric Acid SCHEMBL6151019 0.98 AR (0.50) ARTDP1TSHRTP53MEN1
SCHEMBL6180353 0.85 AR (0.44) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL2387448 0.85 AR (0.44) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL12438322 0.85 MAPK1 (0.44) ARTSHRMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL27492354 0.84 AR (0.43) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL2399432 0.84 ALDH1A1 (0.43) ARTSHRMEN1KMT2AALDH1A1
SCHEMBL5750827 0.84 AR (0.40) ARTSHRMEN1KMT2AALDH1A1
SCHEMBL2114774 0.84 AR (0.51) ARTSHRMEN1KMT2AALDH1A1
SCHEMBL6205236 0.83 AR (0.39) ARMEN1KMT2AALDH1A1MAPT
SCHEMBL27520536 0.82 AR (0.39) ARTSHRMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-06-23 — — US claimed
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2012-04-19 — — US claimed
CN-101475528-A Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO LTD (JP) 2009-07-08 — — CN claimed
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 — — CN claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP claimed
JP-6184098-A — — None — — JP disclosed
US-20240068025-A1 GENOMIC ANALYSIS METHOD PERSEUS BIOMICS BV (BE) 2024-02-29 — — US disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 — — US disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 — — US disclosed
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS S-Infinity Pharmaceuticals (CN) 2024-01-18 — — US disclosed
CN-117203198-A Compounds as PU.1 inhibitors 浙江星浩澎博医药有限公司 2023-12-08 — — CN disclosed
EP-4267758-A1 GENOMIC ANALYSIS METHOD Perseus Biomics BV (BE) 2023-11-01 — — EP disclosed
EP-0722446-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-07-24 — — EP disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 — — EP disclosed
WO-1996005196-A1 DISTAMYCIN A ANALOGUES AS ANTITUMOUR OR ANTIVIRAL AGENTS PHARMACIA S.P.A. (IT) 1996-02-22 — — WO disclosed
EP-0661260-A1 New bi-aromatic compounds derived from amides pharmaceutical compositions and cosmetic compositions containing them and their use CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1995-07-05 — — EP disclosed
JP-H06184098-A THERAPEUTICALLY ACTIVE NAPHTHALENESULFONIC PYRROLECARBOXAMIDO DERIVATIVE FARMITALIA CARLO ERBA SPA 1994-07-05 — — JP disclosed
US-4942227-A ANTITUMOR AGENTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1990-07-17 — — US disclosed
US-4665184-A BREAKING STRANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1987-05-12 — — 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 (4 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-20160175303-A1 SYNTHESIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, TBCA, SDHA AR 4255/4885TDP1 2566/4885TSHR 2065/4885
US-20120095021-A1 SYNTHSIS OF NEW BENZOTHIAZOLE DERIVATIVES AS POTENTIAL ANTI-TUBERCULAR AGENTS TST, SDHB, SDHA AR 4475/4885TDP1 1091/4885TSHR 1940/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 AR 4067/4885TDP1 1049/4885TSHR 156/4885
US-20240018129-A1 COMPOUNDS AS PU. 1 INHIBITORS FLI1, MCL1, SP1 AR 4383/4885TDP1 576/4885TSHR 4227/4885

“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.