SCHEMBL19708901

SCHEMBL19708901

Cc1cc(C)n(-c2cc(N3CCOCC3)nc(Nc3ccc(F)cc3F)n2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.53
EGFR P00533 1/20 0.48
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.44
AKT1 P31749 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIK3CA P42336 3/20 0.43
DPP4 P27487 1/20 0.42
PIK3CG P48736 2/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL19690863 0.86 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HTTEGFRPOLB
SCHEMBL19691065 0.85 HTT (0.43) SMN1; SMN2ALDH1A1HTTADORA2AADORA1
SCHEMBL19708905 0.82 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HTTEGFRADORA2A
SCHEMBL19690935 0.77 FPR2 (0.45) SMN1; SMN2HTTADORA2AADORA1KDM4E
SCHEMBL19690860 0.77 HTT (0.43) SMN1; SMN2ALDH1A1HTTADORA2AADORA1
SCHEMBL19700431 0.77 ROCK2 (0.39) SMN1; SMN2MAPTGAA
SCHEMBL19691077 0.77 ROCK2 (0.39) SMN1; SMN2MAPTGAA
SCHEMBL19691033 0.75 KDM4E (0.36) SMN1; SMN2ALDH1A1HTTADORA2APOLB
SCHEMBL19686373 0.74 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HTTEGFRADORA2A
SCHEMBL21166229 0.73 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1HTTEGFRADORA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 SMN1; SMN2 841/4885ALDH1A1 1315/4885HTT 1113/4885

“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.