Sugi Predict

Sugi Predict / Compounds / SCHEMBL5952815

SCHEMBL5952815

SCHEMBL5952815

COc1cc([N+](=O)[O-])c(N)cc1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ TDP1 Q9NUW8 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RECQL P46063 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL5330357 0.93 HTT (0.50) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL3480822 0.87 ALDH1A1 (0.58) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL5479455 0.86 HTT (0.54) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL9106099 0.85 HTT (0.58) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL11251378 0.85 ALDH1A1 (0.55) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL6375580 0.83 HTT (0.55) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL2955974 0.83 ALDH1A1 (0.53) TDP1ALDH1A1MAPTCYP3A4ALOX15
SCHEMBL8009996 0.81 HTT (0.58) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL3469807 0.81 HTT (0.43) HTTTDP1ALDH1A1MAPTCYP3A4
SCHEMBL1291738 0.81 GAA (0.56) HTTTDP1ALDH1A1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 — — CN claimed
CN-111362867-B Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2023-04-18 — — CN disclosed
CN-111362867-A Mobile terminal, shell assembly, electrochromic material and preparation method thereof 宁波祢若电子科技有限公司 2020-07-03 — — CN disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 — — US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 — — US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 — — US disclosed
EP-1468688-A2 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments Auckland Uniservices Limited (NZ) 2004-10-20 — — EP disclosed
EP-1172356-B1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL CO (JP) 2004-10-06 — — EP disclosed
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments AUCKLAND UNISERVICES LIMITED (NZ) 2004-09-30 — — US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 — — EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 — — US disclosed
US-6630598-B2 Reacting nitroaniline compound with acid chloride/anhydride in presence of alkali metal/earth metal compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-10-07 — — US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 — — WO disclosed
US-20020016506-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2002-02-07 — — US disclosed
EP-1172356-A1 Process for producing N-acylnitroaniline derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-16 — — EP disclosed
WO-1997006161-A1 ANTICOCCIDIAL 8-AMINOQUINOLINE DERIVATIVES PFIZER LIMITED (GB) 1997-02-20 — — WO disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 — — US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 — — US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 — — 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 HTT 4828/4885TDP1 2680/4885ALDH1A1 1389/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A HTT 4860/4885TDP1 1498/4885ALDH1A1 862/4885
US-20020016506-A1 Process for producing N-acylnitroaniline derivative NAAA, NAT1, ACOT7 HTT 2681/4885TDP1 3946/4885ALDH1A1 824/4885
US-20040192686-A1 Benzoazine mono-N-oxides and benzoazine 1,4 dioxides and compositions therefrom for the therapeutic use in cancer treatments NPM1, DUOX1, NOX5 HTT 3552/4885TDP1 3004/4885ALDH1A1 609/4885

“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.