SCHEMBL13102456

SCHEMBL13102456

Cc1nccc2c(=O)n(NC(=O)Cc3ccccc3)c(C3CC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HTT P42858 3/20 0.45
TSHR P16473 4/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL13102517 0.85 ALDH1A1 (0.40) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102453 0.82 ALDH1A1 (0.47) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102191 0.82 ALDH1A1 (0.46) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102387 0.81 ALDH1A1 (0.44) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102085 0.77 ALDH1A1 (0.45) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102313 0.75 ALDH1A1 (0.50) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102187 0.75 SMN1; SMN2 (0.43) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102473 0.74 SMN1; SMN2 (0.43) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102443 0.74 SMN1; SMN2 (0.43) ALDH1A1HTTTSHRKDM4EMAPK1
SCHEMBL13102202 0.73 PDE1C (0.42) ALDH1A1TSHRKDM4EMAPK1ATM

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-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 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-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885TSHR 1918/4885

“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.