SCHEMBL4882240

SCHEMBL4882240

O=C(NCc1ccc(C(F)(F)F)cc1)c1cn[nH]c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.59
LSS P48449 1/20 0.58
HDAC1 Q13547 3/20 0.54
KDM1A O60341 2/20 0.54
EPHX2 P34913 3/20 0.52
PPARG P37231 2/20 0.52
PPARA Q07869 1/20 0.52
NAMPT P43490 2/20 0.52
PSMD14 O00487 1/20 0.51
STAMBP O95630 1/20 0.51
ROCK2 O75116 3/20 0.51
ROCK1 Q13464 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
NR1H4 Q96RI1 1/20 0.49
MLYCD O95822 1/20 0.49

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
SCHEMBL4882259 0.86 MLYCD (0.59) MAPK14ROCK2ROCK1MLYCD
SCHEMBL4879066 0.84 ROCK2 (0.68) MAPK14HDAC1NAMPTROCK2ROCK1
SCHEMBL18741074 0.84 L3MBTL1 (0.61) MAPK14EPHX2PPARGSTAMBPROCK2
SCHEMBL4879445 0.81 ROCK2 (0.60) ROCK2ROCK1L3MBTL1HDAC2HDAC6
SCHEMBL1568311 0.81 L3MBTL1 (0.74) MAPK14LSSHDAC1KDM1AEPHX2
SCHEMBL18741154 0.81 ROCK2 (0.54) ROCK2ROCK1
SCHEMBL2634030 0.79 MAPK14 (0.76) MAPK14LSSHDAC1EPHX2PPARG
SCHEMBL31023451 0.79 EPHX2 (0.62) HDAC1EPHX2ROCK2ROCK1HDAC3
SCHEMBL15873800 0.78 L3MBTL1 (0.58) HDAC1EPHX2NAMPTROCK2ROCK1
SCHEMBL4497840 0.78 LSS (0.69) MAPK14LSSHDAC1KDM1AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 MAPK14 1270/4885LSS 1948/4885HDAC1 949/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 MAPK14 1270/4885LSS 1948/4885HDAC1 949/4885

“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.