Sugi Predict

Sugi Predict / Compounds / SCHEMBL643492

SCHEMBL643492

SCHEMBL643492

O=C(Cl)Cc1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.55
▸ IDO1 P14902 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ MAOB P27338 2/20 0.45
▸ MAOA P21397 1/20 0.45
▸ RBP4 P02753 1/20 0.45
▸ CNR1 P21554 2/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ ATM Q13315 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ EPHX2 P34913 1/20 0.43

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
SCHEMBL1395805 0.85 POLQ (0.55) POLQIDO1SIGMAR1HDAC1HDAC8
SCHEMBL6864363 0.84 POLQ (0.58) POLQIDO1SIGMAR1HDAC1HDAC8
Hydrochloric Acid SCHEMBL8413702 0.83 POLQ (0.54) POLQIDO1SIGMAR1HDAC1HDAC8
SCHEMBL6971669 0.82 POLQ (0.57) POLQIDO1SIGMAR1HDAC1HDAC8
SCHEMBL29718585 0.82 POLQ (0.61) POLQIDO1SIGMAR1HDAC1HDAC8
SCHEMBL187791 0.82 POLQ (0.61) POLQIDO1SIGMAR1HDAC1HDAC8
SCHEMBL5873518 0.81 CNR1 (0.49) POLQIDO1HDAC1HDAC8MAOB
SCHEMBL8870525 0.81 ALDH1A1 (0.42) POLQRBP4KDM4EATMALDH1A1
SCHEMBL9740945 0.81 POLQ (0.55) POLQIDO1SIGMAR1HDAC1HDAC8
Hydrochloric Acid SCHEMBL2529825 0.81 POLQ (0.59) POLQIDO1SIGMAR1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 — — US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 — — US disclosed
EP-4074701-B1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEMICAL LTD (KR) 2023-12-13 — — EP disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 — — WO disclosed
US-20230101389-A1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF LG CHEM, LTD. (KR) 2023-03-30 — — US disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 — — US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 — — US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 — — CN disclosed
WO-2021133038-A1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF 주식회사 엘지화학 2021-07-01 — — WO disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 — — US disclosed
WO-1997030707-A1 NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-28 — — WO disclosed
US-5618792-A USEFUL FOR TREATING ACUTE RESPIRATORY DISEASES, AND MYOCARDIAL ISHCEMIA-REPERFUSION INJURY CORTECH, INC. (US) 1997-04-08 — — US disclosed
WO-1996016080-A1 HUMAN NEUTROPHIL ELASTASE INHIBITORS CORTECH, INC. (US) 1996-05-30 — — WO disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 — — US disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 — — EP disclosed
EP-0585296-A1 2-(PYRROLIDINYL-1-METHYL)-PIPERIDINE DERIVATIVES AND THEIR USE AS KAPPA-RECEPT OR AGONISTS Smithkline Beecham Farmaceutici S.p.A. (IT) 1994-03-09 — — EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 — — US disclosed
US-5225602-A Catalytic rearrangement of phenyl-substituted epoxide BASF AKTIENGESELLSCHAFT (DE) 1993-07-06 — — US disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 — — EP disclosed
EP-0347066-A1 New enantiomers and their isolation H. LUNDBECK A/S (DK) 1989-12-20 — — 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-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 POLQ 4645/4885IDO1 1912/4885SIGMAR1 128/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 POLQ 4164/4885IDO1 1876/4885SIGMAR1 100/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 POLQ 4645/4885IDO1 1912/4885SIGMAR1 128/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 POLQ 4645/4885IDO1 1912/4885SIGMAR1 128/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 POLQ 4645/4885IDO1 1912/4885SIGMAR1 128/4885
US-20230101389-A1 NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF DGAT2, DGAT1, MOGAT2 POLQ 3433/4885IDO1 2619/4885SIGMAR1 3852/4885

“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.