SCHEMBL6426257

SCHEMBL6426257

COc1c(C(=O)NCCc2cccs2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
RECQL P46063 1/20 0.42
IL1B P01584 1/20 0.40
P2RX7 Q99572 1/20 0.40
AURKA O14965 3/20 0.40
AURKB Q96GD4 3/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6427572 0.93 RECQL (0.48) RECQLAURKAAURKBKDM4ESMN1; SMN2
SCHEMBL6428652 0.86 SMN1; SMN2 (0.44) ROCK2ROCK1KDM4ESMN1; SMN2NPC1
SCHEMBL6426372 0.85 TSHR (0.47) AURKAAURKBKDM4ESMN1; SMN2NPC1
SCHEMBL5032372 0.84 KDM4E (0.42) AURKAAURKBKDM4ESMN1; SMN2NPC1
SCHEMBL6426371 0.84 RAB9A (0.42) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL6428744 0.84 HPGD (0.45) RECQLAURKAAURKBKDM4ESMN1; SMN2
SCHEMBL5027586 0.83 AURKA (0.40) AURKAAURKBKDM4ESMN1; SMN2NPC1
SCHEMBL6428670 0.83 AURKA (0.46) AURKAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL6428558 0.83 DRD2 (0.39) SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL6426323 0.83 ABL1 (0.37) SMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B BRD4 305/4885RECQL 4114/4885IL1B 686/4885

“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.