Sugi Predict

Sugi Predict / Compounds / SCHEMBL431958

SCHEMBL431958

SCHEMBL431958

O=[N+]([O-])c1ccc(Br)cc1NC1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.59
▸ MAPK1 P28482 4/20 0.59
▸ GAA P10253 2/20 0.57
▸ GLA P06280 1/20 0.57
▸ CYP1A2 P05177 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ HCAR3 P49019 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ WNK1 Q9H4A3 2/20 0.45
▸ DCTPP1 Q9H773 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL30734304 0.94 MAPT (0.57) MAPTMAPK1GAAGLACYP1A2
SCHEMBL17678160 0.94 MAPT (0.57) MAPTMAPK1GAAGLACYP1A2
SCHEMBL2490062 0.94 MAPT (0.57) MAPTMAPK1GAAGLACYP1A2
SCHEMBL14247576 0.93 MAPT (0.53) MAPTMAPK1GAAGLACYP1A2
SCHEMBL14247574 0.93 MAPT (0.53) MAPTMAPK1GAAGLACYP1A2
SCHEMBL13967315 0.91 MAPT (0.51) MAPTMAPK1GAAGLACYP1A2
SCHEMBL1519355 0.87 MAPT (0.54) MAPTMAPK1GAAGLACYP1A2
SCHEMBL31454351 0.87 MAPT (0.49) MAPTMAPK1GAAGLACYP1A2
SCHEMBL17678246 0.87 HCAR3 (0.64) MAPTMAPK1GAAGLAHCAR3
SCHEMBL20502367 0.86 MAPT (0.46) MAPTMAPK1GAAGLACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528791-B2 Thyroid hormone receptor beta agonist compounds TERNS PHARMACEUTICALS, INC. (US) 2026-01-20 — — US disclosed
US-20250302815-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC 2025-10-02 — — US disclosed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 — — EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 — — CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 — — WO disclosed
EP-4384512-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS Calico Life Sciences LLC (US) 2024-06-19 — — EP disclosed
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 — — CN disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 — — WO disclosed
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 — — EP disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 — — US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 — — WO disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 — — US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 — — US disclosed
US-9382226-B2 Aldosterone synthase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-07-05 — — US disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 — — WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 — — WO disclosed
WO-2015199205-A1 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME 日本メジフィジックス株式会社 2015-12-30 — — WO disclosed
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC 2013-11-28 — — US disclosed
EP-2595482-A1 ALDOSTERONE SYNTHASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-29 — — EP disclosed
WO-2012012478-A1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-26 — — WO 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 (4 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-20250302815-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS PTPN1, PTPN2, PTPN18 MAPT 2823/4885MAPK1 423/4885GAA 414/4885
US-12528791-B2 Thyroid hormone receptor beta agonist compounds THRB, THRA, TSHR MAPT 1208/4885MAPK1 2095/4885GAA 4496/4885
US-20130317057-A1 ALDOSTERONE SYNTHASE INHIBITORS HSD11B1, CYP11B2, HSD11B2 MAPT 2917/4885MAPK1 567/4885GAA 2500/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 MAPT 2656/4885MAPK1 178/4885GAA 2903/4885

“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.