SCHEMBL4550754

SCHEMBL4550754

Cc1cc(CN)ncc1OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 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
AAK1 Q2M2I8 7/20 0.39
CYP17A1 P05093 3/20 0.35
RXRA P19793 1/20 0.34
CACNA1H O95180 2/20 0.34
CACNA1G O43497 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
Hydrochloric Acid SCHEMBL2713170 0.98 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1USP2
Hydrochloric Acid SCHEMBL15669771 0.88 AAK1 (0.38) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL15351086 0.84 HTR2A (0.43) MAPTKDM4EHSP90AA1HSP90AB1AAK1
SCHEMBL15350441 0.84 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EMEN1USP2
Hydrochloric Acid SCHEMBL15669839 0.84 MAPK1 (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL15351130 0.83 HTR2A (0.44) MAPTKDM4EHSP90AA1HSP90AB1AAK1
SCHEMBL15670650 0.77 CYP17A1 (0.35) MAPTAAK1CYP17A1CNR2
Hydrochloric Acid SCHEMBL15351106 0.77 AAK1 (0.42) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL15350197 0.77 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1USP2
Hydrochloric Acid SCHEMBL15351004 0.76 CYP17A1 (0.34) ALOX15AAK1CYP17A1

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 ALDH1A1 1358/4885MAPT 3185/4885KDM4E 1168/4885

“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.