SCHEMBL5334913

SCHEMBL5334913

N#Cc1c(F)c(C#N)c(Br)c(F)c1Br

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
ATM Q13315 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
SCHEMBL5334905 0.89 TRPV4 (0.31) TRPV4
SCHEMBL13826034 0.88 TRPV4 (0.33) TRPV4ATM
SCHEMBL28966761 0.86 TRPV4 (0.32) TRPV4ATM
SCHEMBL20521848 0.86 TRPV4 (0.32) TRPV4ATM
SCHEMBL27516214 0.82 TRPV4 (0.33) TRPV4ATM
SCHEMBL20596142 0.82 TRPV4 (0.33) TRPV4ATM
SCHEMBL5333617 0.82 TRPV4 (0.33) TRPV4ATM
SCHEMBL20596085 0.82 TRPV4 (0.33) TRPV4ATM
SCHEMBL28966745 0.78 TRPV4 (0.31) TRPV4
SCHEMBL9625848 0.77 TRPV4 (0.41) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018204-A1 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD. (JP) 2003-01-23 US claimed
US-7217827-B2 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD. (JP) 2007-05-15 US disclosed
US-6916959-B2 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20050090691-A1 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD., A JAPAN CORPORATION 2005-04-28 US disclosed
US-20030018204-A1 Halogen-containing aromatic compound NIPPON SHOKUBAI CO., LTD. (JP) 2003-01-23 US disclosed
EP-1256564-A1 Halogen-containing aromatic compound Nippon Shokubai Co., Ltd. (JP) 2002-11-13 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 (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-20050090691-A1 Halogen-containing aromatic compound TYR, AFF4, DDT TRPV4 99/4885ATM 2100/4885
US-20030018204-A1 Halogen-containing aromatic compound TYR, AFF4, DDT TRPV4 99/4885ATM 2100/4885

“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.