SCHEMBL13399994

SCHEMBL13399994

CNCCc1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.58
TAAR1 Q96RJ0 3/20 0.58
ATM Q13315 1/20 0.58
EPHX1 P07099 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
EPHX2 P34913 1/20 0.57
CDK9 P50750 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.55
CNR1 P21554 2/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
HRH3 Q9Y5N1 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54

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
SCHEMBL4111018 0.83 TP53 (0.61) TAAR1EPHX1SMN1; SMN2TP53TSHR
SCHEMBL2891493 0.82 SMN1; SMN2 (0.71) TAAR1EPHX1SMN1; SMN2TP53TSHR
SCHEMBL8868654 0.81 EPHX1 (0.63) TAAR1EPHX1SMN1; SMN2TP53TSHR
SCHEMBL8868648 0.81 SMN1; SMN2 (0.63) TAAR1EPHX1SMN1; SMN2TP53TSHR
SCHEMBL4203073 0.81 TSHR (0.57) TAAR1SMN1; SMN2TP53TSHRKMT2A
SCHEMBL4107205 0.80 TRPV1 (0.72) EPHX1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL17976214 0.79 SMN1; SMN2 (0.61) TAAR1EPHX1SMN1; SMN2TP53TSHR
SCHEMBL4112384 0.79 RAB9A (0.69) TAAR1EPHX1SMN1; SMN2TP53TSHR
SCHEMBL13104425 0.78 SAE1 (0.71) TAAR1EPHX1SMN1; SMN2TP53TSHR
SCHEMBL12582054 0.78 SMN1; SMN2 (0.55) FPR2TAAR1ATMSMN1; SMN2NPC1

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-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 US disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 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-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB FPR2 4565/4885TAAR1 4473/4885ATM 343/4885

“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.