SCHEMBL3436614

SCHEMBL3436614

COc1cccc(C)c1C1=CCN(CC(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 0.48
CDK9 P50750 8/20 0.48
SUV39H2 Q9H5I1 2/20 0.45
KDM4E B2RXH2 3/20 0.42
MAPT P10636 3/20 0.42
ATM Q13315 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL3436230 0.89 CCNT1 (0.47) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL3436613 0.83 SIGMAR1 (0.42) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL3436391 0.79 KDM4E (0.45) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL3436711 0.76 CCNT1 (0.43) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL520056 0.75 SUV39H2 (0.53) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL3436505 0.75 CCNT1 (0.47) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL3436517 0.75 WNT3A (0.43) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL3435686 0.73 SIGMAR1 (0.42) CCNT1CDK9KDM4EMAPTSIGMAR1
SCHEMBL3436712 0.72 CDK9 (0.42) CCNT1CDK9SUV39H2KDM4EMAPT
SCHEMBL3436504 0.72 CDK9 (0.53) CCNT1CDK9ATMSIGMAR1LMNA

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 4 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-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
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 CCNT1 3047/4885CDK9 648/4885SUV39H2 1642/4885

“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.