SCHEMBL4335964

SCHEMBL4335964

CC(C)[C@@H](CO)NC(=O)c1cc(F)c2[nH]nc(-c3cccc(F)c3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.42
DGAT2 Q96PD7 2/20 0.42
ROCK2 O75116 4/20 0.42
ROCK1 Q13464 3/20 0.42
MAPK1 P28482 4/20 0.40
MAPK3 P27361 3/20 0.40
PAK4 O96013 1/20 0.39
NPR1 P16066 5/20 0.39
GABRA5 P31644 1/20 0.38
MAP2K4 P45985 1/20 0.38

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
SCHEMBL4339892 0.92 ROCK2 (0.44) TRPV3DGAT2ROCK2ROCK1MAPK1
SCHEMBL4339186 0.89 NTRK1 (0.41) TRPV3DGAT2ROCK2ROCK1PAK4
SCHEMBL4334123 0.88 ROCK2 (0.43) ROCK2ROCK1MAPK1MAPK3MAP2K4
SCHEMBL4346841 0.87 ROCK1 (0.41) ROCK2ROCK1MAPK1MAPK3GABRA5
SCHEMBL4343384 0.87 MAPK1 (0.39) TRPV3DGAT2ROCK2ROCK1MAPK1
SCHEMBL2859833 0.85 MAPK1 (0.54) DGAT2MAPK1MAPK3
SCHEMBL27558580 0.85 MAPK1 (0.54) DGAT2MAPK1MAPK3
SCHEMBL4334510 0.84 MAPK1 (0.39) ROCK2ROCK1MAPK1MAPK3GABRA5
SCHEMBL4338629 0.83 MAPK1 (0.55) ROCK2ROCK1MAPK1MAPK3PAK4
SCHEMBL4341423 0.82 ROCK1 (0.39) ROCK2ROCK1MAPK1MAPK3MAP2K4

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-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TRPV3 394/4885DGAT2 3122/4885ROCK2 805/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TRPV3 394/4885DGAT2 3122/4885ROCK2 805/4885

“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.