SCHEMBL4137387

SCHEMBL4137387

NC(=O)n1nc(/C=C/c2cccs2)c2c[c]cc(F)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ALOX5 P09917 1/20 0.34
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
PSMD14 O00487 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
NFKB1 P19838 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
SCHEMBL4137391 1.00 HCAR2 (0.35) HCAR2ALOX5MAPTSMN1; SMN2LMNA
SCHEMBL4141485 0.84 NFE2L2 (0.37) SMN1; SMN2LMNANPC1RAB9AKDM4E
SCHEMBL4141487 0.84 NFE2L2 (0.37) SMN1; SMN2LMNANPC1RAB9AKDM4E
SCHEMBL4145363 0.82 JUN (0.33) KDM4ENFKB1
SCHEMBL4145361 0.82 JUN (0.33) KDM4ENFKB1
SCHEMBL4144404 0.81 ALOX5 (0.34) ALOX5
SCHEMBL4139807 0.81 ENPP2 (0.36) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL4139804 0.81 ENPP2 (0.36) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL4149484 0.80 MEN1 (0.36) ALDH1A1NPC1RAB9AKDM4EMEN1
SCHEMBL4149526 0.79 NFE2L2 (0.39) MAPTALDH1A1KDM4EMEN1KMT2A

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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B HCAR2 574/4885ALOX5 3385/4885MAPT 2811/4885

“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.