Sugi Predict

Sugi Predict / Compounds / SCHEMBL358991

SCHEMBL358991

SCHEMBL358991

CCc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ TSHR P16473 3/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ RECQL P46063 1/20 0.61
▸ TDP1 Q9NUW8 4/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ PDK1 Q15118 1/20 0.51
▸ POLB P06746 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ SNCA P37840 1/20 0.40
▸ PDE7A Q13946 1/20 0.39

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 SCHEMBL28234289 0.98 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL395825 0.89 ALDH1A1 (0.58) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL38658431 0.88 ALDH1A1 (0.64) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL29389163 0.86 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL1351968 0.86 ALDH1A1 (0.62) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL27613783 0.86 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL2765848 0.85 TSHR (0.60) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL2767547 0.85 TSHR (0.60) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL7218334 0.85 ALDH1A1 (0.60) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL16519848 0.84 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010099318-A1 PHYSIOLOGIC SAMPLE PREPARATION FOR NANOSENSORS YALE UNIVERSITY (US) 2010-09-02 — — WO claimed
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 — — US disclosed
CN-109641887-B Thiazole derivatives useful as mutant IDH1 inhibitors for the treatment of cancer 美国政府健康及人类服务部 2022-09-20 — — CN disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 — — WO disclosed
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 — — US disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 — — CN disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 — — EP disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 — — US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 — — EP disclosed
CN-107428690-B Mutant IDH1 inhibitors useful for the treatment of cancer 美国政府健康及人类服务部 2021-04-13 — — CN disclosed
EP-1224198-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2002-07-24 — — EP disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 — — US disclosed
CN-1303374-A Substituted indolinones, process for their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2001-07-11 — — CN disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 — — EP disclosed
WO-2001032671-A1 NUCLEOSIDE DERIVATIVES WITH PHOTOLABILE PROTECTING GROUPS NIGU CHEMIE GMBH (DE) 2001-05-10 — — WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 — — WO disclosed
EP-0057418-B1 NITRO-ANILINE PREPARATIONS HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-02 — — EP disclosed
US-4401603-A CHLORINATION OF THE SOLUTION OR SUSPENSION FORMED BY THE FORMYLATION OF AN ARYLAMINE IN A SOLVENT CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-30 — — US disclosed
US-4368054-A Compositions of nitro-anilines for producing azo dyes on fibers HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-11 — — US disclosed
EP-0057418-A1 Nitro-aniline preparations HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-11 — — 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 (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-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G ALDH1A1 3790/4885TSHR 3900/4885CYP3A4 4182/4885
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP ALDH1A1 528/4885TSHR 3688/4885CYP3A4 368/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G ALDH1A1 3790/4885TSHR 3900/4885CYP3A4 4182/4885

“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.