SCHEMBL14263231

SCHEMBL14263231

C=CCOc1ccc(C(=O)NC)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
SCN9A Q15858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PTK2 Q05397 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 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
SCHEMBL2953979 0.88 S1PR1 (0.47) KDM4ESCN9AALDH1A1MAPTMEN1
SCHEMBL1489132 0.84 RXRA (0.53) KDM4EALDH1A1MRGPRX4RXRARXRB
SCHEMBL13580696 0.79 SIRT1 (0.50) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL404257 0.79 MRGPRX4 (0.41) KDM4ESCN9AALDH1A1MAPTMEN1
SCHEMBL23865023 0.75 RECQL (0.40) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL3541117 0.73 PDK2 (0.40) KDM4ESCN9AALDH1A1HPGDRXRA
SCHEMBL3541113 0.73 PDK2 (0.40) KDM4ESCN9AALDH1A1HPGDRXRA
SCHEMBL13407792 0.71 TAS1R3 (0.59) RXRA
SCHEMBL21055125 0.71 P4HB (0.46) HPGDMAPTMEN1HTTKMT2A
SCHEMBL13870617 0.71 ADCY8 (0.50) ALDH1A1HPGDMAPTMEN1CYP2C9

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-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 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-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 KDM4E 1279/4885SCN9A 3292/4885ALDH1A1 1459/4885

“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.