Sugi Predict

Sugi Predict / Compounds / SCHEMBL700631

SCHEMBL700631

SCHEMBL700631

Cc1cccc([N+](=O)[O-])c1C#N

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.57
▸ TDP1 Q9NUW8 5/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ ALDH1A1 P00352 7/20 0.48
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ ABCG2 Q9UNQ0 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ERN1 O75460 1/20 0.40

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
SCHEMBL618153 0.86 TDP1 (0.54) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL28175713 0.83 TSHR (0.60) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL13983226 0.81 TSHR (0.58) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL16958015 0.81 TSHR (0.46) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL220318 0.79 VCAM1 (0.47) TSHRSMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL30694393 0.79 VCAM1 (0.47) TSHRSMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL9616120 0.79 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL2417213 0.79 ALDH1A1 (0.53) TSHRSMN1; SMN2HSD17B10TDP1ALDH1A1
SCHEMBL13982718 0.79 TSHR (0.55) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1
SCHEMBL2413505 0.78 TSHR (0.44) TSHRSMN1; SMN2HSD17B10TDP1L3MBTL1

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
CN-110183392-B Preparation method of 3-substituted phenyl-4, 5-dihydroisoxazole derivative, application and intermediate thereof 河北医科大学 2023-03-28 — — CN claimed
CN-120040366-A Preparation method of topramezone intermediate and preparation method of topramezone 合肥星宇化学有限责任公司 2025-05-27 — — CN disclosed
WO-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
CN-110183392-B Preparation method of 3-substituted phenyl-4, 5-dihydroisoxazole derivative, application and intermediate thereof 河北医科大学 2023-03-28 — — CN disclosed
CN-107365319-B Modulation of chemosensory receptors and ligands associated therewith 弗门尼舍公司 2020-10-27 — — CN disclosed
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 — — EP disclosed
US-9403753-B2 Dual site catalyst for mild, selective nitrile reduction UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-08-02 — — US disclosed
US-20160145193-A1 DUAL SITE CATALYST FOR MILD, SELECTIVE NITRILE REDUCTION NATIONAL SCIENCE FOUNDATION 2016-05-26 — — US disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 — — EP disclosed
US-9181276-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX, INC. (US) 2015-11-10 — — US disclosed
US-5534518-A Insecticidal substituted-2,4-diaminoquinazolines FMC CORPORATION (US) 1996-07-09 — — US disclosed
EP-0684824-A4 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES. FMC CORP (US) 1996-02-14 — — EP disclosed
EP-0684824-A1 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES FMC CORPORATION (US) 1995-12-06 — — EP disclosed
WO-1994018980-A1 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES FMC CORPORATION (US) 1994-09-01 — — WO disclosed
EP-0128382-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO-CYCLOHEXANES AND/OR 1-ALKYL-4-ISOCYANATO-METHYL-ISOCYANATO-CYCLOHEXANES AND THE LIKE DIAMINES, PROCESSES FOR THEIR PREPARATION, AND USE BASF Aktiengesellschaft (DE) 1989-09-27 — — EP disclosed
EP-0091054-B1 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO PHENYL AND/OR 1-ALKYL-4-ISOCYANATOMETHYL-ISOCYANATO PHENYL, METHOD FOR THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1985-10-02 — — EP disclosed
US-4512929-A POLYURETHANE MONOMERS, PLANT SAFENING AGENT BASF AKTIENGESELLSCHAFT (DE) 1985-04-23 — — US disclosed
EP-0128382-A1 1-Alkyl-2-isocyanatomethyl-isocyanato-cyclohexanes and/or 1-alkyl-4-isocyanato-methyl-isocyanato-cyclohexanes and the like diamines, processes for their preparation, and use BASF Aktiengesellschaft (DE) 1984-12-19 — — EP disclosed
EP-0091054-A1 1-Alkyl-2-isocyanatomethyl-isocyanato phenyl and/or 1-alkyl-4-isocyanatomethyl-isocyanato phenyl, method for their preparation and use BASF Aktiengesellschaft (DE) 1983-10-12 — — EP disclosed
US-3979431-A Process for preparing nitroaromatic nitriles CHEVRON RESEARCH COMPANY (US) 1976-09-07 — — 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 (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-20160145193-A1 DUAL SITE CATALYST FOR MILD, SELECTIVE NITRILE REDUCTION KMO, FES, TDO2 TSHR 2319/4885SMN1; SMN2 4047/4885HSD17B10 4377/4885

“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.