Sugi Predict

Sugi Predict / Compounds / SCHEMBL3087777

SCHEMBL3087777

SCHEMBL3087777

NC(=O)c1cc(C(N)=O)cc([N+](=O)[O-])c1

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.91
▸ SMN1; SMN2 Q16637 1/20 0.91
▸ TSHR P16473 3/20 0.66
▸ LMNA P02545 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.52
▸ CES1 P23141 2/20 0.48
▸ CES2 O00748 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CYP19A1 P11511 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALOX5 P09917 1/20 0.44

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
Nitromide SCHEMBL193674 0.95 CYP3A4 (1.00) CYP3A4SMN1; SMN2TSHRLMNAGAA
Nitromide SCHEMBL17803670 0.93 CYP3A4 (0.96) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL3662651 0.92 CYP3A4 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL9798039 0.90 CYP3A4 (0.75) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL27970845 0.88 CYP3A4 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL1172383 0.88 SMN1; SMN2 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL1718794 0.88 CYP3A4 (0.78) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL15297092 0.87 SMN1; SMN2 (0.70) CYP3A4SMN1; SMN2TSHRLMNAGAA
Nitromide SCHEMBL9225099 0.86 TSHR (0.81) CYP3A4SMN1; SMN2TSHRLMNAGAA
SCHEMBL7446030 0.86 CYP3A4 (0.75) CYP3A4SMN1; SMN2TSHRLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118685993-A Antibacterial breathable fabric and preparation process thereof 广东健业纺织集团有限公司 2024-09-24 — — CN claimed
CN-116514673-A Synthesis of substituted anilines 上海慧聚药业有限公司 2023-08-01 — — CN claimed
EP-3985001-B1 PHARMACEUTICAL COMPOSITION FOR USE IN TREATING A CANCER SERVIER LAB (FR) 2026-04-29 — — EP disclosed
CN-118685993-B Antibacterial breathable fabric and preparation process thereof 广东健业纺织集团有限公司 2025-02-18 — — CN disclosed
CN-118685993-A Antibacterial breathable fabric and preparation process thereof 广东健业纺织集团有限公司 2024-09-24 — — CN disclosed
US-20240059733-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2024-02-22 — — US disclosed
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 — — US disclosed
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 — — US disclosed
CN-115734962-A Process for the preparation of iopamidol 通用电气医疗集团股份有限公司 2023-03-03 — — CN disclosed
CN-114685308-A Method for preparing aryl primary amide by autocatalysis cyanide source one-pot method 杭州微流汇科技有限公司 2022-07-01 — — CN disclosed
EP-3985001-A1 PHARMACEUTICAL COMPOSITION USEFUL IN INHIBITING IDH1 Les Laboratoires Servier SAS (FR) 2022-04-20 — — EP disclosed
WO-2013107291-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2013-07-25 — — WO disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 — — US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 — — US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 — — EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 — — WO disclosed
EP-0678502-B1 Process for preparing glycoloylanilides CLARIANT GMBH (DE) 1999-03-31 — — EP disclosed
US-5616799-A REACTING A CORRESPONDING NITRO COMPOUND WITH A KETONE AND HYDROGEN IN PRESENCE OF A NOBLE METAL CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-01 — — US disclosed
EP-0678502-A1 Process for preparing glycoloylanilides HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-25 — — EP disclosed
EP-0177414-A1 Jodized triaminobenzene compounds, process for their preparation and their use in contrast products GUERBET S.A. (FR) 1986-04-09 — — 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 (2 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-20240059733-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A CYP3A4 2656/4885SMN1; SMN2 261/4885TSHR 4517/4885
US-11667673-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A CYP3A4 2656/4885SMN1; SMN2 261/4885TSHR 4517/4885

“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.