SCHEMBL13102436

SCHEMBL13102436

O=C(Cc1ccccc1)Nn1c(C2CC2)nc2cc(OC(F)(F)F)ccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 6/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL13102451 0.92 SMN1; SMN2 (0.49) TSHRMAPK1KDM4EALDH1A1HTT
SCHEMBL13102431 0.91 SMN1; SMN2 (0.43) TSHRMAPK1KDM4EALDH1A1HTT
SCHEMBL13102510 0.90 SMN1; SMN2 (0.45) TSHRMAPK1KDM4EALDH1A1HTT
SCHEMBL13102442 0.89 SMN1; SMN2 (0.42) TSHRMAPK1KDM4EALDH1A1LMNA
SCHEMBL13101634 0.88 SMN1; SMN2 (0.47) TSHRMAPK1KDM4EALDH1A1HTT
SCHEMBL13101626 0.88 SMN1; SMN2 (0.45) TSHRMAPK1KDM4EALDH1A1LMNA
SCHEMBL13101624 0.88 CCNA2 (0.45) TSHRMAPK1KDM4EALDH1A1HTT
SCHEMBL14539654 0.87 KDM4E (0.44) TSHRMAPK1KDM4EALDH1A1LMNA
SCHEMBL13102194 0.86 ALDH1A1 (0.54) TSHRMAPK1KDM4EALDH1A1HTT
SCHEMBL13102210 0.86 ALDH1A1 (0.52) TSHRMAPK1KDM4EALDH1A1HTT

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 TSHR 1918/4885MAPK1 1243/4885KDM4E 1397/4885

“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.