Sugi Predict

Sugi Predict / Compounds / SCHEMBL5115366

SCHEMBL5115366

SCHEMBL5115366

N#CCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 6/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ LMNA P02545 2/20 0.30

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
SCHEMBL5076043 0.98 TDP1 (0.55) TDP1CYP3A4ESR1ESR2KDM4E
Methylene Chloride SCHEMBL958149 0.82 CYP3A4 (0.75) TDP1CYP3A4ESR1ESR2KDM4E
Propionitrile SCHEMBL29191436 0.81 CYP3A4 (0.57) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL1654829 0.81 TDP1 (0.57) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL5079197 0.80 ESR1 (0.33) TDP1CYP3A4ESR1ESR2TSHR
Methylene Chloride SCHEMBL27713830 0.79 CYP3A4 (0.71) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL28275505 0.79 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
Water SCHEMBL66291 0.79 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL31412011 0.79 TDP1 (0.92) TDP1CYP3A4ESR1ESR2KDM4E
SCHEMBL5356053 0.77 TDP1 (0.67) TDP1CYP3A4ESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2026-03-19 — — US disclosed
EP-4656638-A2 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2025-12-03 — — EP disclosed
WO-2025200154-A1 TWO-PART EPOXY COMPOSITION COMPRISING THIOL CURATIVE, AND CATALYST 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-10-02 — — WO disclosed
EP-4590674-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2025-07-30 — — EP disclosed
CN-119212989-A Pyrazole derivatives as STING agonists 豪夫迈·罗氏有限公司 2024-12-27 — — CN disclosed
US-20240400793-A1 COMPOSITION FOR POLYURETHANE FOAM, FOAM PREPARED THEREFROM AND A METHOD THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2024-12-05 — — US disclosed
CN-118434796-A Composition for polyurethane foam, foam prepared therefrom and method thereof 迈图高新材料公司 2024-08-02 — — CN disclosed
US-20240139158-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS INC (US) 2024-05-02 — — US disclosed
WO-2024061340-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-03-28 — — WO disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 — — US disclosed
EP-0915700-B1 USE OF BETA-SHEET MIMETICS AS PROTEASE AND KINASE INHIBITORS AND AS INHIBITORS OF TRANSCRIPTION FACTORS MYRIAD GENETICS INC (US) 2006-03-22 — — EP disclosed
US-20050137210-A1 Substituted n-aryl amidines as selective D1 dopamine receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION 2005-06-23 — — US disclosed
US-20030027819-A1 Beta-sheet mimetics and methods relating to the use thereof MOLECUMETICS LTD. 2003-02-06 — — US disclosed
EP-1053246-B1 BETA-SHEET MIMETICS AND METHODS RELATING TO THE USE THEREOF MOLECUMETICS LTD (US) 2003-01-02 — — EP disclosed
US-6372744-B1 PROTEASE OR KINASE INHIBITORS MOLECUMETICS LTD. 2002-04-16 — — US disclosed
EP-1053246-A1 BETA-SHEET MIMETICS AND METHODS RELATING TO THE USE THEREOF MOLECUMETICS, LTD. (US) 2000-11-22 — — EP disclosed
US-6117896-A Methods for regulating transcription factors MOLECUMETICS LTD. (US) 2000-09-12 — — US disclosed
WO-1999041276-A1 β-SHEET MIMETICS AND METHODS RELATING TO THE USE THEREOF MOLECUMETICS LTD. (US) 1999-08-19 — — WO disclosed
US-5187288-A Electrically neutral, photostable, narrow absorption and emission spectra MOLECULAR PROBES, INC. (US) 1993-02-16 — — US disclosed
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 — — 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 (5 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-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 TDP1 3878/4885CYP3A4 6/4885ESR1 4681/4885
US-20030027819-A1 Beta-sheet mimetics and methods relating to the use thereof SERBP1, HGFAC, PACSIN2 TDP1 2011/4885CYP3A4 4630/4885ESR1 3103/4885
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF NAMPT, NNMT, SARM1 TDP1 3638/4885CYP3A4 2054/4885ESR1 3208/4885
US-20240139158-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 TDP1 1710/4885CYP3A4 1207/4885ESR1 4689/4885
US-20050137210-A1 Substituted n-aryl amidines as selective D1 dopamine receptor antagonists for the treatment of obesity and CNS disorders GPR119, GLP1R, DRD1 TDP1 3598/4885CYP3A4 1990/4885ESR1 478/4885

“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.