SCHEMBL979900

SCHEMBL979900

[CH2]c1ccc(C(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
KIF11 P52732 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31

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
SCHEMBL662302 0.83 PGK1 (0.38) NOTUMTRPV4KIF11PGK1PGK2
Bromide SCHEMBL9813321 0.79 NOTUM (0.37) NOTUMTRPV4KIF11PGK1PGK2
SCHEMBL1533388 0.77 ESR1 (0.31)
SCHEMBL17801401 0.75 DAO (0.36) PGK1PGK2
SCHEMBL4482935 0.73
SCHEMBL4048358 0.71 IDO1 (0.48)
SCHEMBL13388176 0.71 LMNA (0.33)
SCHEMBL147275 0.71
SCHEMBL1568687 0.69 PDE2A (0.34) KIF11
SCHEMBL17288936 0.69 ALDH1A1 (0.58)

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-9636345-B2 Benzimidazole derivatives useful TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-02 US claimed
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-04 US claimed
US-8981113-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV (BE) 2015-03-17 US claimed
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US claimed
EP-2440295-B1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-07-24 EP claimed
US-8450497-B2 Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US claimed
CN-102802730-A Benzimidazole derivatives useful as TRPM8 channel modulators JANSSEN PHARMACEUTICA NV 2012-11-28 CN claimed
EP-2440295-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-04-18 EP claimed
US-20110003800-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-06 US claimed
WO-2010144679-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-16 WO claimed
WO-2024137981-A1 NAMPT MODULATORS CYTOKINETICS, INCORPORATED (US) 2024-06-27 WO disclosed
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2024-06-27 US disclosed
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
WO-2024101386-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
US-6933260-B2 Avermectin B1 derivatives having an aminosulfonyloxy substituent in the 4′-position SYNGENTA CROP PROTECTION, INC. (US) 2005-08-23 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20050032717-A1 Macrolide compounds such as 4''-methylaminosulfonyloxy-avermectin B1, used for controlling pests in plants; pesticides MERIAL LIMITED 2005-02-10 US disclosed
CN-1088207-A pyrimidine compounds UBE INDUSTRIES (JP) 1994-06-22 CN 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-20110003800-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 NOTUM 3826/4885TRPV4 10/4885KIF11 2535/4885
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS NOTUM 3867/4885TRPV4 3842/4885KIF11 3048/4885
US-20130245085-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 NOTUM 3826/4885TRPV4 10/4885KIF11 2535/4885
US-20150150882-A1 BENZIMIDAZOLE DERIVATIVES USEFUL TRPM8 CHANNEL MODULATORS TRPM8, TRPM4, TRPM6 NOTUM 3887/4885TRPV4 10/4885KIF11 2646/4885
US-20050032717-A1 Macrolide compounds such as 4''-methylaminosulfonyloxy-avermectin B1, used for controlling pests in plants; pesticides CBR3, CBR1, HCN1 NOTUM 298/4885TRPV4 1946/4885KIF11 2834/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B NOTUM 4648/4885TRPV4 2353/4885KIF11 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.