SCHEMBL3435722

SCHEMBL3435722

NC(=O)CN1CC=C(c2ccccc2N)CCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 6/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HDAC4 P56524 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTR1A P08908 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL2078054 0.92 KDM4E (0.43) CCNT1CDK9SMN1; SMN2KDM4ELMNA
SCHEMBL3436524 0.86 CCNT1 (0.42) CCNT1CDK9SMN1; SMN2KDM4ELMNA
SCHEMBL3435092 0.82 CTSD (0.40) CCNT1CDK9SMN1; SMN2KDM4ELMNA
SCHEMBL3436022 0.80 RAD52 (0.39) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL3436391 0.77 KDM4E (0.45) CCNT1CDK9SMN1; SMN2KDM4ELMNA
SCHEMBL3434233 0.74 CDK9 (0.52) CCNT1CDK9LMNASIGMAR1
SCHEMBL3434596 0.74 CCNT1 (0.52) CCNT1CDK9LMNASIGMAR1
SCHEMBL3435570 0.72 CCNT1 (0.38) CCNT1CDK9SMN1; SMN2KDM4ELMNA
SCHEMBL3435686 0.72 SIGMAR1 (0.42) CCNT1CDK9SMN1; SMN2KDM4ELMNA
SCHEMBL2078087 0.72 CDK9 (0.41) CCNT1CDK9SMN1; SMN2KDM4ELMNA

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 CCNT1 3047/4885CDK9 648/4885SMN1; SMN2 3601/4885

“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.