SCHEMBL3435575

SCHEMBL3435575

NC(=O)CN1CCN(c2cccc(F)c2N)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TSHR P16473 4/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NSD2 O96028 1/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL27597072 0.87 ALDH1A1 (0.64) ALDH1A1TSHRHSD17B10KDM4ETDP1
SCHEMBL3436296 0.84 MEN1 (0.55) ALDH1A1TSHRHSD17B10KDM4ETDP1
SCHEMBL3435636 0.80 MAPT (0.47) ALDH1A1TSHRHSD17B10KDM4ETDP1
SCHEMBL3434274 0.80 GAA (0.43) ALDH1A1TSHRHSD17B10KDM4ETDP1
SCHEMBL2077401 0.79 ADRA2C (0.53) ALDH1A1TSHRHSD17B10KDM4ETDP1
SCHEMBL2780977 0.79 KDM4E (0.50) ALDH1A1TSHRHSD17B10KDM4ETDP1
SCHEMBL521899 0.77 MAPT (0.55) ALDH1A1TSHRHSD17B10KDM4ETDP1
SCHEMBL21301972 0.77 ADORA2B (0.51) ALDH1A1TSHRKDM4ETDP1KMT2A
SCHEMBL2782106 0.77 DRD2 (0.56) ALDH1A1TSHRKDM4EPOLB
SCHEMBL3436297 0.76 KMT2A (0.47) ALDH1A1TSHRHSD17B10KDM4ETDP1

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 ALDH1A1 975/4885TSHR 867/4885HSD17B10 4247/4885

“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.