SCHEMBL4550345

SCHEMBL4550345

COc1cc(CN)ccc1OCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ATM Q13315 2/20 0.49
CA2 P00918 1/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
THRB P10828 1/20 0.43
G6PD P11413 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP19A1 P11511 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL15711367 0.94 KDM4E (0.49) KDM4EATMCA2MAPTALDH1A1
SCHEMBL10370856 0.88 ATM (0.68) KDM4EATMMEN1KMT2ACYP19A1
SCHEMBL16422052 0.85 CA2 (0.47) KDM4EATMCA2MAPTALDH1A1
SCHEMBL14244257 0.84 TTR (0.53) KDM4EATMCA2MAPTALDH1A1
SCHEMBL28617018 0.83 CYP3A4 (0.39) KDM4EATMMAPTALDH1A1USP2
SCHEMBL29774180 0.83 CYP3A4 (0.39) KDM4EATMMAPTALDH1A1USP2
SCHEMBL29774182 0.83 CYP3A4 (0.39) KDM4EATMMAPTALDH1A1USP2
SCHEMBL4550338 0.82 ALDH1A1 (0.44) KDM4EMAPTALDH1A1MEN1USP2
Hydrochloric Acid SCHEMBL15351342 0.81 ALDH1A1 (0.43) KDM4EMAPTALDH1A1MEN1USP2
Hydrochloric Acid SCHEMBL30117172 0.81 ALDH1A1 (0.43) KDM4EMAPTALDH1A1MEN1USP2

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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A KDM4E 1168/4885ATM 4773/4885CA2 1011/4885

“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.