SCHEMBL6651902

SCHEMBL6651902

N#Cc1ccc(C#N)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.48
EGLN2 Q96KS0 4/20 0.41
TSHR P16473 1/20 0.38
CYP11B2 P19099 7/20 0.36
CYP11B1 P15538 6/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
UPP1 Q16831 1/20 0.36
AR P10275 2/20 0.35
BCAT1 P54687 1/20 0.34

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
SCHEMBL365967 0.89 TRPV4 (0.46) TRPV4EGLN2CYP11B2CYP11B1BCAT1
SCHEMBL1128771 0.84 ESR1 (0.44) TRPV4EGLN2MAOAMAOBUPP1
SCHEMBL16427832 0.84 TRPV4 (0.39) TRPV4EGLN2TSHRCYP11B2CYP11B1
SCHEMBL29416744 0.84 ESR1 (0.44) TRPV4EGLN2MAOAMAOBUPP1
SCHEMBL10416688 0.84 TRPV4 (0.39) TRPV4EGLN2TSHRCYP11B2CYP11B1
SCHEMBL410450 0.84 TSHR (0.44) TRPV4EGLN2TSHRCYP11B2CYP11B1
SCHEMBL9340535 0.84 EGLN2 (0.40) TRPV4EGLN2CYP11B2CYP11B1AR
SCHEMBL9447055 0.84 TRPV4 (0.39) TRPV4EGLN2TSHRCYP11B2CYP11B1
SCHEMBL3838194 0.84 TRPV4 (0.39) TRPV4EGLN2TSHRCYP11B2CYP11B1
SCHEMBL9845641 0.84 TRPV4 (0.43) TRPV4EGLN2CYP11B2CYP11B1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114950387-A Anti-pollution soil remediation agent and preparation method thereof 周海滨 2022-08-30 CN claimed
CN-110841601-A β -cyclodextrin dimer for removing organic pollutants in water and preparation and use methods thereof 中国石油大学(华东) 2020-02-28 CN claimed
US-4556426-A HALOGENATED AROMATIC DINITRILES TILE COUNCIL OF AMERICA, INC. (US) 1985-12-03 US claimed
CN-114950387-B Pollution-prevention soil restoration agent and preparation method thereof 辽宁一亩神农业科技有限公司 2024-09-20 CN disclosed
US-20230011206-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-12 US disclosed
CN-112270106-B Cross-linking degree correction-based prediction model for cyclodextrin polymer to adsorb organic pollutants in water body 大连理工大学 2022-09-23 CN disclosed
CN-114950387-A Anti-pollution soil remediation agent and preparation method thereof 周海滨 2022-08-30 CN disclosed
CN-112270106-A Prediction model for cyclodextrin polymer to adsorb organic pollutants in water body based on cross-linking degree correction 大连理工大学 2021-01-26 CN disclosed
CN-110841601-A β -cyclodextrin dimer for removing organic pollutants in water and preparation and use methods thereof 中国石油大学(华东) 2020-02-28 CN disclosed
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
US-4684734-A Method for manufacture or organic fluorine compounds NIPPON SHOKUBAI KK CO., LTD. (JP) 1987-08-04 US 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 (1 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-20230011206-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE MLX, H1-0, RER1 TRPV4 2185/4885EGLN2 1987/4885TSHR 1256/4885

“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.