Sugi Predict

Sugi Predict / Compounds / SCHEMBL4582740

SCHEMBL4582740

SCHEMBL4582740

NCc1ccc(C2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.48
▸ LOXL2 Q9Y4K0 4/20 0.46
▸ SPHK1 Q9NYA1 4/20 0.46
▸ ABAT P80404 1/20 0.44
▸ ESR2 Q92731 4/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ POLB P06746 1/20 0.39

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
SCHEMBL10232991 0.91 HRH3 (0.44) HRH3LOXL2SPHK1ABAT
SCHEMBL11997346 0.91 HRH3 (0.44) HRH3LOXL2SPHK1ABATESR2
SCHEMBL2837369 0.89 SPHK1 (0.40) HRH3LOXL2SPHK1ABATESR2
SCHEMBL7508590 0.89 ESR2 (0.59) HRH3LOXL2SPHK1ABATESR2
SCHEMBL7508598 0.89 ESR2 (0.59) HRH3LOXL2SPHK1ABATESR2
SCHEMBL2835804 0.89 SPHK1 (0.40) HRH3LOXL2SPHK1ABATESR2
SCHEMBL5049395 0.89 F2 (0.44) HRH3LOXL2
SCHEMBL22291710 0.89 F2 (0.44) HRH3LOXL2
Hydrochloric Acid SCHEMBL250061 0.89 HRH3 (0.42) HRH3LOXL2SPHK1ABAT
SCHEMBL13660206 0.89 F2 (0.44) HRH3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112624930-A Preparation method of 2, 2-bis (4-aminophenyl) hexafluoropropane 上海如鲲新材料有限公司 2021-04-09 — — CN claimed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 — — EP claimed
CN-116354923-B Nitrogen-containing heterocyclic compound and application thereof 江苏恩华药业股份有限公司 2025-05-09 — — CN disclosed
US-20250129021-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2025-04-24 — — US disclosed
WO-2025064718-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2025-03-27 — — WO disclosed
US-20250066355-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2025-02-27 — — US disclosed
US-12172998-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2024-12-24 — — US disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 — — EP disclosed
CN-114805094-B Preparation method of bis (3-amino-4-hydroxyphenyl) hexafluoropropane 上海如鲲新材料股份有限公司 2024-04-02 — — CN disclosed
CN-115572570-B Rubber protection coating film and preparation method thereof 山西天启通液压有限公司 2024-02-20 — — CN disclosed
EP-3894410-B1 SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INT (DE) 2023-10-11 — — EP disclosed
US-20160194323-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-07-07 — — US disclosed
US-20160083379-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-03-24 — — US disclosed
WO-2016044429-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO disclosed
WO-2012020749-A1 TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOUND THAT CONTAINS SAME AND EXHIBITS ANALGESIC ACTIVITY 塩野義製薬株式会社 (JP) 2012-02-16 — — WO disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 — — CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 — — CN disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 — — US disclosed
CN-1729159-A Amide compounds and methods for controlling plant diseases SUMITOMO CHEMICAL CO (JP) 2006-02-01 — — CN disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 — — 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 (6 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-20160194323-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5C, KDM1A HRH3 437/4885LOXL2 1602/4885SPHK1 2860/4885
US-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 HRH3 32/4885LOXL2 1213/4885SPHK1 2166/4885
US-12172998-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5C HRH3 433/4885LOXL2 1620/4885SPHK1 2947/4885
US-20160083379-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C HRH3 433/4885LOXL2 1620/4885SPHK1 2947/4885
US-20250129021-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS MYC, KRAS, NRAS HRH3 4044/4885LOXL2 2287/4885SPHK1 1060/4885
US-20250066355-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C HRH3 433/4885LOXL2 1620/4885SPHK1 2947/4885

“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.