SCHEMBL3557785

SCHEMBL3557785

Cc1cccc(F)c1C1=CCN(CNO)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 3/20 0.36
CCNT1 O60563 4/20 0.36
CDK9 P50750 4/20 0.36
DRD2 P14416 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 1/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL3436613 0.81 SIGMAR1 (0.42) MEN1KMT2ASIGMAR1CCNT1CDK9
SCHEMBL3554023 0.79 DRD2 (0.43) SIGMAR1DRD2KDM4EHTR1ADRD4
SCHEMBL3551951 0.74 ATM (0.41) MEN1KMT2ASIGMAR1CCNT1CDK9
SCHEMBL3552452 0.69 MEN1 (0.41) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL3466789 0.68 PDK4 (0.58) CCNT1CDK9
SCHEMBL30852130 0.68 PRMT1 (0.50) MEN1KMT2ASIGMAR1
SCHEMBL27313226 0.68 SIGMAR1 (0.35) MEN1KMT2ASIGMAR1KDM4EMAPT
SCHEMBL3436711 0.66 CCNT1 (0.43) SIGMAR1CCNT1CDK9KDM4EMAPT
SCHEMBL28971538 0.65 ALDH1A1 (0.46) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL3436712 0.65 CDK9 (0.42) SIGMAR1CCNT1CDK9KDM4EATM

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 MEN1 4778/4885KMT2A 1707/4885SIGMAR1 1460/4885

“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.