SCHEMBL3436610

SCHEMBL3436610

[C-]#[N+]c1c(F)ccc(C)c1N1CCN(CC(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 6/20 0.35
HTT P42858 2/20 0.35
TTR P02766 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 1/20 0.34
REV1 Q9UBZ9 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL3436485 0.83 CYP1A2 (0.42) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436639 0.79 CYP1A2 (0.37) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436297 0.78 KMT2A (0.47) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436622 0.78 ALDH1A1 (0.37) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL13999570 0.78 ALDH1A1 (0.38) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436493 0.78 KMT2A (0.47) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL3436410 0.77 KMT2A (0.44) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL5228101 0.76 MEN1 (0.55) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL3436761 0.76 CYP1A2 (0.38) CYP1A2CYP3A4GAACYP2C9CYP2C19
SCHEMBL3436706 0.73 ALDH1A1 (0.42) CYP1A2CYP3A4GAACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 CYP1A2 1955/4885CYP3A4 1991/4885GAA 3904/4885

“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.