SCHEMBL13102431

SCHEMBL13102431

O=C(Cc1cccc(F)c1)Nn1c(C2CC2)nc2cc(OC(F)(F)F)ccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CSNK1D P48730 1/20 0.41
ALDH1A1 P00352 5/20 0.40
HTT P42858 1/20 0.40
RIPK1 Q13546 5/20 0.39
RIPK3 Q9Y572 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
ATM Q13315 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
LMNA P02545 2/20 0.38

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
SCHEMBL13101626 0.93 SMN1; SMN2 (0.45) SMN1; SMN2TSHRMAPK1KDM4ECSNK1D
SCHEMBL13102510 0.92 SMN1; SMN2 (0.45) SMN1; SMN2TSHRMAPK1KDM4ECSNK1D
SCHEMBL13102436 0.91 TSHR (0.49) SMN1; SMN2TSHRMAPK1KDM4EALDH1A1
SCHEMBL13102451 0.91 SMN1; SMN2 (0.49) SMN1; SMN2TSHRMAPK1KDM4ECSNK1D
SCHEMBL13102442 0.89 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1KDM4ECSNK1D
SCHEMBL13101634 0.89 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMAPK1KDM4EALDH1A1
SCHEMBL13102314 0.88 SMN1; SMN2 (0.49) SMN1; SMN2TSHRMAPK1KDM4EALDH1A1
SCHEMBL14539654 0.87 KDM4E (0.44) SMN1; SMN2TSHRMAPK1KDM4ECSNK1D
SCHEMBL13102375 0.87 SMN1; SMN2 (0.45) SMN1; SMN2TSHRMAPK1KDM4ECSNK1D
SCHEMBL13101676 0.84 ALDH1A1 (0.42) CSNK1DALDH1A1HTTTRPV1LMNA

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 3 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
US-7223768-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2007-05-29 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 SMN1; SMN2 253/4885TSHR 1918/4885MAPK1 1243/4885

“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.