SCHEMBL1797379

SCHEMBL1797379

N#Cc1ccc(C#N)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.59
CYP11B2 P19099 15/20 0.53
CYP11B1 P15538 14/20 0.53
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
EGLN2 Q96KS0 2/20 0.41

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
SCHEMBL9612005 0.86 TRPV4 (0.55) TRPV4CYP11B2CYP11B1
SCHEMBL2390105 0.85 TRPV4 (0.53) TRPV4CYP11B2CYP11B1
SCHEMBL16961654 0.85 TRPV4 (0.53) TRPV4CYP11B2CYP11B1
SCHEMBL15577767 0.85 TRPV4 (0.44) TRPV4CYP11B2CYP11B1IMPDH2IMPDH1
SCHEMBL6212888 0.85 TRPV4 (0.44) TRPV4CYP11B2CYP11B1IMPDH2IMPDH1
SCHEMBL21535962 0.81 TRPV4 (0.41) TRPV4CYP11B2CYP11B1IMPDH2IMPDH1
SCHEMBL22563058 0.81 TRPV4 (0.42) TRPV4CYP11B2CYP11B1
SCHEMBL924361 0.81 TRPV4 (0.45) TRPV4CYP11B2CYP11B1IMPDH2IMPDH1
SCHEMBL229147 0.80 EGLN2 (0.44) CYP11B2CYP11B1IMPDH2IMPDH1EGLN2
SCHEMBL29416796 0.80 EGLN2 (0.44) CYP11B2CYP11B1IMPDH2IMPDH1EGLN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116041699-A Triazine organic electrode material and preparation method and application thereof 上海交通大学 2023-05-02 CN claimed
CN-109591711-B Peculiar smell adsorption type vehicle covering curtain 上海瀚氏科技集团有限公司 2020-06-23 CN claimed
US-4556426-A HALOGENATED AROMATIC DINITRILES TILE COUNCIL OF AMERICA, INC. (US) 1985-12-03 US claimed
CN-115594669-B Parallel ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-11-05 CN disclosed
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 US disclosed
US-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 US disclosed
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD (JP) 2023-08-29 US disclosed
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device IDEMITSU KOSAN CO., LTD (JP) 2023-08-29 US disclosed
WO-2023079531-A1 METAL-ORGANIC FRAMEWORK BASED X-RAY IMAGING SCINTILLATOR KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2023-05-11 WO disclosed
CN-116041699-A Triazine organic electrode material and preparation method and application thereof 上海交通大学 2023-05-02 CN disclosed
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed
WO-2000026210-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 WO disclosed
US-6034104-A CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 2000-03-07 US disclosed
US-6008367-A NITRILE AND AMINO SUBSTITUTED ISOOXAZOLE DERIVATIVE ELI LILLY AND COMPANY (US) 1999-12-28 US disclosed
US-5863929-A ADMINISTERING ORTHO-HYDROXYBENZAMIDINE DERIVATIVES AS ANTITHROMBIN AGENT ELI LILLY AND COMPANY (US) 1999-01-26 US disclosed
EP-0816376-A1 Trombin inhibitors as anticoagulant agents ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
WO-1997049404-A1 ANTICOAGULANT AGENTS ELI LILLY AND COMPANY (US) 1997-12-31 WO disclosed
US-4556426-A HALOGENATED AROMATIC DINITRILES TILE COUNCIL OF AMERICA, INC. (US) 1985-12-03 US disclosed
EP-0120575-A1 Organic fluorine compounds Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) 1984-10-03 EP disclosed
US-4177288-A FUNGICIDES, COPPER SALTS AND SURFACTANTS WITH HALOGENATED BENZONITRILES CITIES SERVICE COMPANY (US) 1979-12-04 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 (2 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-20230322673-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE L1CAM, CCNL2, CTNND1 TRPV4 447/4885CYP11B2 1953/4885CYP11B1 2612/4885
US-11739061-B2 Compound, material for organic electroluminescent elements, organic electroluminescent element, and electronic device L1CAM, CCNL2, CTNND1 TRPV4 447/4885CYP11B2 1953/4885CYP11B1 2612/4885

“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.