SCHEMBL4156599

SCHEMBL4156599

Fc1ccc(C=Cc2n[nH]c3cc(F)c(-c4nc5ccc(F)cc5[nH]4)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 9/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHEK1 O14757 2/20 0.40
FLT3 P36888 1/20 0.39
METAP2 P50579 2/20 0.39
METAP1 P53582 2/20 0.39
CBFB Q13951 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
NFE2L2 Q16236 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
CYP11B1 P15538 1/20 0.38
TCF4 P15884 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
SCHEMBL4156596 1.00 AMY1A (0.46) AMY1AKDM4EMEN1NPC1ALDH1A1
SCHEMBL4143266 0.92 MAPT (0.42) AMY1AKDM4EMEN1NPC1ALDH1A1
SCHEMBL4146259 0.92 AMY1A (0.46) AMY1AKDM4EMEN1NPC1ALDH1A1
SCHEMBL4146264 0.92 AMY1A (0.46) AMY1AKDM4EMEN1NPC1ALDH1A1
SCHEMBL4143263 0.92 MAPT (0.42) AMY1AKDM4EMEN1NPC1ALDH1A1
SCHEMBL4156685 0.90 RAB9A (0.58) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL4156689 0.90 RAB9A (0.58) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL4154820 0.89 MEN1 (0.40) AMY1AKDM4EMEN1NPC1ALDH1A1
SCHEMBL4145643 0.89 NPC1 (0.40) AMY1AKDM4EMEN1NPC1ALDH1A1
SCHEMBL4145646 0.89 NPC1 (0.40) AMY1AKDM4EMEN1NPC1ALDH1A1

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 5 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-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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 (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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B AMY1A 3596/4885KDM4E 2622/4885MEN1 4415/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AMY1A 3917/4885KDM4E 2795/4885MEN1 4470/4885

“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.