SCHEMBL19690901

SCHEMBL19690901

CC(=O)c1cc(Cl)nc(Nc2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ERBB3 P21860 1/20 0.46
ALOX5 P09917 2/20 0.45
PPARG P37231 2/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 4/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL1367922 0.79 NTRK1 (0.40) MAPK1NPC1ALDH1A1LMNAKMT2A
SCHEMBL1367919 0.79 NTRK1 (0.40) MAPK1NPC1ALDH1A1LMNAKMT2A
SCHEMBL19690880 0.76 POLB (0.59) MAPTKDM4EMAPK1L3MBTL1NPC1
SCHEMBL16533683 0.75 ADORA3 (0.51) ALOX5MAPTKDM4ENPC1ALDH1A1
SCHEMBL13950759 0.74 MAPT (0.54) EGFRERBB3ALOX5PPARGMAPT
SCHEMBL4880624 0.73 TXN (0.53) EGFRERBB3ALOX5PPARGMAPT
SCHEMBL443826 0.73 ALDH1A1 (0.37) MAPTKDM4ENPC1RAB9AGAA
SCHEMBL19690895 0.73 POLB (0.45) EGFRERBB3ALOX5PPARGMAPT
SCHEMBL3715503 0.72 PPARA (0.51) PPARGMAPTKDM4ENPC1RAB9A
SCHEMBL3998429 0.72 NPC1 (0.57) MAPTKDM4ENPC1RAB9AGAA

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-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
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 EGFR 4455/4885ERBB3 4628/4885ALOX5 2949/4885

“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.