Sugi Predict

Sugi Predict / Compounds / SCHEMBL193774

SCHEMBL193774

SCHEMBL193774

COc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ATM Q13315 1/20 0.42
▸ ESPL1 Q14674 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
SCHEMBL30127220 1.00 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL30780970 0.93 ALDH1A1 (0.44) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL2798396 0.93 ALDH1A1 (0.44) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL9730053 0.86 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL1766175 0.85 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL31377991 0.85 ALDH1A1 (0.58) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL10814747 0.84 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL512256 0.84 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL31188768 0.84 LMNA (0.54) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL29804996 0.84 ALDH1A1 (0.51) ALDH1A1MAPTCYP3A4KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 — — EP disclosed
WO-2024220236-A2 HYDROXYLAMINE-BASED BCR-ABL1 INHIBITORS FOR TREATMENT OF CANCER UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2024-10-24 — — WO disclosed
EP-3928836-B1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-09-18 — — EP disclosed
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 — — US disclosed
CN-117088884-A Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-21 — — CN disclosed
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 — — CN disclosed
WO-2023216753-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 上海赛默罗生物科技有限公司 2023-11-16 — — WO disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
WO-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 — — CN disclosed
EP-0161304-B1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC Corporation (US) 1990-01-10 — — EP disclosed
EP-0161304-A4 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1986-04-15 — — EP disclosed
US-4579688-A USING PHENYL ISOCYANATE CHEMICAL INTERMEDIATE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-04-01 — — US disclosed
EP-0161304-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF. FMC CORP (US) 1985-11-21 — — EP disclosed
EP-0061741-B1 TETRAHYDROPHTHALIMIDES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-18 — — EP disclosed
WO-1985001939-A1 HERBICIDAL 1-ARYL-4-SUBSTITUTED-1,4-DIHYDRO-5H-TETRAZOL-5-ONES AND SULFUR ANALOGS THEREOF FMC CORPORATION (US) 1985-05-09 — — WO disclosed
US-4484940-A Tetrahydrophthalimides, and their production and use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-11-27 — — US disclosed
US-4427438-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-01-24 — — US disclosed
EP-0069855-A2 N-(2-fluoro-4-halo-5-substituted phenyl)hydantoins, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-01-19 — — EP disclosed
EP-0061741-A2 Tetrahydrophthalimides, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-10-06 — — 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 (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-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 761/4885MAPT 4570/4885CYP3A4 154/4885

“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.