Sugi Predict

Sugi Predict / Compounds / SCHEMBL698696

SCHEMBL698696

SCHEMBL698696

Cc1ccc(Cl)cc1CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ IDO1 P14902 3/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSPD1 P10809 1/20 0.40
▸ HSPA5 P11021 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ HSPE1 P61604 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL30995430 1.00 CYP3A4 (0.46) CYP3A4IDO1HIF1ALMNAMEN1
SCHEMBL7670914 0.84 ALOX5 (0.39) CYP3A4MEN1MAPTKMT2AKCNH2
SCHEMBL27803601 0.83 CYP3A4 (0.43) CYP3A4IDO1HIF1ALMNAMEN1
SCHEMBL2796665 0.82 CYP3A4 (0.41) CYP3A4IDO1HIF1ALMNAMEN1
SCHEMBL31118037 0.82 CYP3A4 (0.41) CYP3A4IDO1HIF1ALMNAMEN1
Hydrochloric Acid SCHEMBL31129160 0.80 CYP3A4 (0.50) CYP3A4IDO1HIF1ALMNAMEN1
SCHEMBL8418306 0.79 CYP3A4 (0.48) CYP3A4IDO1HIF1ALMNAMEN1
SCHEMBL9861809 0.79 CYP3A4 (0.48) CYP3A4IDO1HIF1ALMNAMEN1
SCHEMBL31459834 0.79 CYP3A4 (0.48) CYP3A4IDO1HIF1ALMNAMEN1
SCHEMBL17449705 0.78 CYP3A4 (0.43) CYP3A4IDO1HIF1ALMNAMEN1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134656-A1 PEPTIDYL NITRILE COMPOUND AND USE THEREOF 上海壹典医药科技开发有限公司 2023-07-20 — — WO disclosed
CN-109836378-B Sphingomyelin synthase inhibitor, preparation method and application thereof 上海华汇拓医药科技有限公司 2022-09-30 — — CN disclosed
US-20220177490-A1 COMPOUNDS HAVING BOTH EFFECTS OF BET BROMODOMAIN PROTEIN INHIBITION AND PD-L1 GENE REGULATION MEDSHINE DISCOVERY INC. (CN) 2022-06-09 — — US disclosed
EP-3936507-A1 COMPOUNDS HAVING BOTH EFFECTS OF BET BROMODOMAIN PROTEIN INHIBITION AND PD-L1 GENE REGULATION Medshine Discovery Inc. (CN) 2022-01-12 — — EP disclosed
EP-2725005-B1 METHOD FOR PRODUCING 2-(ARYLOXYMETHYL)BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-08-02 — — EP disclosed
WO-2017040450-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 — — WO disclosed
EP-2725005-A1 METHOD FOR PRODUCING 2-(ARYLOXYMETHYL)BENZALDEHYDE COMPOUND Sumitomo Chemical Company Limited (JP) 2014-04-30 — — EP disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 — — EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 — — US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 — — US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 — — US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 — — US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 — — US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — US disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 — — EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 — — WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 — — US 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885IDO1 28/4885HIF1A 3960/4885
US-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 CYP3A4 2340/4885IDO1 1007/4885HIF1A 1899/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885IDO1 28/4885HIF1A 3960/4885
US-20220177490-A1 COMPOUNDS HAVING BOTH EFFECTS OF BET BROMODOMAIN PROTEIN INHIBITION AND PD-L1 GENE REGULATION BET1, BRD4, BRD3 CYP3A4 4596/4885IDO1 428/4885HIF1A 2162/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885IDO1 28/4885HIF1A 3960/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP3A4 3/4885IDO1 28/4885HIF1A 3960/4885

“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.