SCHEMBL3435698

SCHEMBL3435698

NC(=O)C1CCN(c2nc(F)ccc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ABL1 P00519 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.43
AKT2 P31751 1/20 0.43
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NEK2 P51955 1/20 0.41
GAK O14976 1/20 0.41

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
SCHEMBL3436518 0.84 ALDH1A1 (0.52) TSHRSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3435533 0.80 MAPT (0.55) TSHRSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL3435996 0.76 CYP1A2 (0.47) TSHRSMN1; SMN2KDM4EALDH1A1CYP3A4
SCHEMBL21462310 0.75 KDM4E (0.51) TSHRSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL2080112 0.75 KDM4E (0.67) TSHRSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL3568644 0.73 KDM4E (0.46) TSHRSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL20145794 0.71 AKT2 (0.55) TSHRNPC1RAB9AKDM4ERECQL
SCHEMBL4677574 0.70 CYP3A4 (0.48) TSHRNPC1RAB9AKDM4ERECQL
SCHEMBL3436043 0.70 AKT2 (0.53) TSHRNPC1RAB9AKDM4ERECQL
SCHEMBL3435689 0.69 KIF18A (0.35)

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 TSHR 867/4885SMN1; SMN2 3601/4885NPC1 4245/4885

“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.