SCHEMBL13102443

SCHEMBL13102443

O=C(Cc1ccc(F)cc1)Nn1c(C2CC2)nc2c(C(F)(F)F)cccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 6/20 0.40
TSHR P16473 4/20 0.40
LMNA P02545 4/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ATM Q13315 1/20 0.38
TRPA1 O75762 1/20 0.38
POLB P06746 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
TYK2 P29597 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
P2RX7 Q99572 1/20 0.36

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
SCHEMBL13102387 0.92 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL13102397 0.92 TRPV1 (0.41) SMN1; SMN2ALDH1A1TSHRLMNAATM
SCHEMBL13102245 0.92 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL13102386 0.92 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL13102396 0.91 TRPV1 (0.45) SMN1; SMN2ALDH1A1TSHRATMNR1H2
SCHEMBL3180841 0.90 P2RX7 (0.41) SMN1; SMN2ALDH1A1TSHRATMTRPA1
SCHEMBL13102187 0.88 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL13102473 0.87 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL13102088 0.87 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TSHRLMNAHTT
SCHEMBL13102393 0.86 TRPV1 (0.46) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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 SMN1; SMN2 253/4885ALDH1A1 2354/4885TSHR 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.