Sugi Predict

Sugi Predict / Compounds / SCHEMBL104593

SCHEMBL104593

SCHEMBL104593

Cc1cccc([N+](=O)[O-])c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 4/20 0.72
▸ TSHR P16473 3/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.63
▸ TDP1 Q9NUW8 5/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ERN1 O75460 1/20 0.56
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RECQL P46063 1/20 0.51

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
Nitrophenolate SCHEMBL9320122 0.91 GPR35 (0.60) GPR35TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL1077970 0.84 GPR35 (1.00) GPR35TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL30135314 0.82 GPR35 (0.95) GPR35TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL11228314 0.82 GPR35 (0.95) GPR35TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL11228321 0.82 GPR35 (0.95) GPR35TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL31108747 0.81 GPR35 (0.56) GPR35TSHRSMN1; SMN2HSD17B10TDP1
Toluene SCHEMBL28998637 0.80 GPR35 (0.73) GPR35TSHRSMN1; SMN2HSD17B10TDP1
Methyl Alcohol SCHEMBL27357898 0.79 GPR35 (0.72) GPR35TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL70167 0.78 GPR35 (0.78) GPR35TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL11309776 0.78 GPR35 (0.78) GPR35TSHRSMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113024384-A Synthesis method of 2-fluoro-3-nitrobenzoic acid intermediate raw material 湖南工程学院 2021-06-25 — — CN claimed
EP-1437749-B1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR RUBYCON CORP (JP) 2013-07-17 — — EP claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 — — US claimed
US-20070197843-A1 Method for purification of 1,1-dichloroethane and process for production of 1,1-difluroethane using this method SHOWA DENKO K.K. (JP) 2007-08-23 — — US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 — — US claimed
WO-2005102970-A1 METHOD FOR PURIFICATION OF 1,1-DICHLOROETHANE AND PROCESS FOR PRODUCTION OF 1,1-DIFLUOROETHANE USING THIS METHOD SHOWA DENKO K.K. (JP) 2005-11-03 — — WO claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 — — US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 — — EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 — — EP claimed
US-4189328-A Method of producing a greener shade Alkali Blue product and product produced thereby THE SHERWIN-WILLIAMS COMPANY (US) 1980-02-19 — — US claimed
WO-2025111184-A1 SUBSTITUTED TETRAHYDROQUINOLINE AND TETRAHYDROQUINOXALINE HERBICIDES FMC CORPORATION (US) 2025-05-30 — — WO disclosed
EP-4554941-A1 HERBICIDAL BENZOXAZINES FMC Corporation (US) 2025-05-21 — — EP disclosed
CN-119775143-A Synthesis method of 2-fluoro-3-nitrobenzoic acid 河北科技大学 2025-04-08 — — CN disclosed
CN-119546601-A Herbicidal benzoxazines FMC公司 2025-02-28 — — CN disclosed
US-20240109912-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS JANSSEN PHARMACEUTICA NV (BY) 2024-04-04 — — US disclosed
US-4075339-A BACTERICIDES, VIRICIDES, ANTIBIOTICS UNIVERSITY OF ILLINOIS FOUNDATION (US) 1978-02-21 — — US disclosed
US-4020084-A Cyclic aminals of aromatic aldehydes BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 — — US disclosed
US-4019857-A Process for the coloration of hydrophobic chemical fibers by metalliferous dyestuffs of cationic character PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-04-26 — — US disclosed
US-3987035-A GELDANAMYCIN DERIVATIVES, BACTERICIDES, VIRICIDES UNIVERSITY OF ILLINOIS FOUNDATION (US) 1976-10-19 — — US disclosed
US-3984405-A PYRIDO(3,2-B)(1,4)OXAZIN-3(4H)-ONES E. R. SQUIBB & SONS, INC. (US) 1976-10-05 — — 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-20240109912-A1 TRICYCLIC PYRIMIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS CDK7, CDK2, CCNK GPR35 2264/4885TSHR 3558/4885SMN1; SMN2 3137/4885

“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.