SCHEMBL4085750

SCHEMBL4085750

Cc1cc(F)cc(C)c1C(=O)CCC(=O)NCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
GAA P10253 1/20 0.57
CYP3A4 P08684 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B1 P14061 1/20 0.54
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 1/20 0.53
NOTUM Q6P988 1/20 0.52
FAAH O00519 2/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL4085506 0.87 GAA (0.57) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL4092146 0.85 HSD17B1 (0.59) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL4093081 0.83 HSD17B1 (0.59) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL16610098 0.82 MAPT (0.84) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL2433131 0.76 MAPT (0.75) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL16353842 0.76 CYP3A4 (0.76) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL13271684 0.76 CYP3A4 (0.80) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL4096345 0.76 HSD17B1 (0.62) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL8234001 0.75 CYP3A4 (0.81) MAPTGAACYP3A4CYP1A2CYP2C9
SCHEMBL19632801 0.74 MAPT (0.81) MAPTCYP3A4CYP1A2CYP2C9CYP2C19

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-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 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-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 MAPT 929/4885GAA 316/4885CYP3A4 115/4885

“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.