Sugi Predict

Sugi Predict / Compounds / SCHEMBL310574

SCHEMBL310574

SCHEMBL310574

COC(=O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.58
▸ AR P10275 1/20 0.56
▸ PELP1 Q8IZL8 1/20 0.56
▸ MAPT P10636 4/20 0.55
▸ ALDH1A1 P00352 9/20 0.54
▸ HPGD P15428 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PKM P14618 1/20 0.49

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
SCHEMBL16392518 0.88 AR (0.71) ARPELP1MAPTALDH1A1KMT2A
SCHEMBL30445111 0.87 ALDH1A1 (0.65) VCAM1MAPTALDH1A1HPGDNPSR1
SCHEMBL7566531 0.87 ALDH1A1 (0.65) VCAM1MAPTALDH1A1HPGDNPSR1
SCHEMBL223878 0.85 TTR (0.64) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL29753668 0.85 TTR (0.64) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL2946181 0.85 ALDH1A1 (0.60) MAPTALDH1A1KMT2ALMNATDP1
SCHEMBL27465203 0.85 VCAM1 (0.53) VCAM1ARPELP1MAPTALDH1A1
SCHEMBL221362 0.85 AR (0.61) VCAM1ARPELP1MAPTALDH1A1
SCHEMBL1560385 0.85 AR (0.58) VCAM1ARPELP1MAPTALDH1A1
SCHEMBL25484968 0.85 ALDH1A1 (0.50) VCAM1ARPELP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036715-A 2, 4-Diarylaminopyrimidine derivative containing benzodithioryl, and pharmaceutical composition and application thereof 盐城工业职业技术学院 2026-05-15 — — CN disclosed
US-20250257041-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2025-08-14 — — US disclosed
US-12312347-B2 Azaindole derivative and use thereof as FGFR and C-Met inhibitor WUXI LIFE FOUNTAIN BIOTECH CO., LTD (CN) 2025-05-27 — — US disclosed
EP-4526291-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER The Board of Regents of the University of Texas System (US) 2025-03-26 — — EP disclosed
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria UNIVERZA V LJUBLJANI (SI) 2025-03-25 — — US disclosed
CN-118047779-B Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2025-02-11 — — CN disclosed
CN-118047779-A Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2024-05-17 — — CN disclosed
WO-2024099226-A1 BIPHENYL HETEROARYL-CONTAINING DIHYDROPTERIDINONE DERIVATIVE, AND USE THEREOF 沈阳药科大学 2024-05-16 — — WO disclosed
CN-114555602-B Heterocyclic compounds as STING modulators 百济神州有限公司 2024-02-06 — — CN disclosed
CN-117355517-A Macrocyclic glucagon-like peptide 1 receptor agonists 伊莱利利公司 2024-01-05 — — CN disclosed
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2004-12-23 — — US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 — — US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — WO disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 — — US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 — — 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 (7 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-12312347-B2 Azaindole derivative and use thereof as FGFR and C-Met inhibitor MET, FGFR1, FGFR2 VCAM1 1208/4885AR 1190/4885PELP1 2571/4885
US-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 VCAM1 1/4885AR 1185/4885PELP1 2962/4885
US-20040259857-A1 Process for the preparation of nonpeptide substituted spirobenzoazepine derivatives REN, AVPR1B, WNK1 VCAM1 2710/4885AR 823/4885PELP1 1598/4885
US-20250257041-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER DDIT3, ATF4, EIF2AK3 VCAM1 4669/4885AR 1975/4885PELP1 1483/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 VCAM1 1/4885AR 1187/4885PELP1 3168/4885
US-20040152743-A1 Heterocyclically substituted benzoylureas, process for their preparation and their use as pharmaceuticals SLC5A2, CYP1B1, CYP2C19 VCAM1 4110/4885AR 3848/4885PELP1 4305/4885
US-12258342-B2 Class of DNA gyrase and/or topoisomerase IV inhibitors with activity against gram-positive and gram-negative bacteria TOP1, TOP2A, TOP2B VCAM1 2750/4885AR 4230/4885PELP1 2771/4885

“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.