SCHEMBL5454761

SCHEMBL5454761

COc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(C)cc32)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
ALOX15 P16050 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
CASP6 P55212 1/20 0.52
MAPK1 P28482 1/20 0.52
TAS1R3 Q7RTX0 4/20 0.50
TAS1R1 Q7RTX1 4/20 0.50
SIRT1 Q96EB6 4/20 0.50
DHODH Q02127 1/20 0.50
BRD3 Q15059 2/20 0.49
RECQL P46063 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.49
PRMT5 O14744 2/20 0.46
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
CDKN1A P38936 1/20 0.44

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
SCHEMBL5456630 0.89 BRD3 (0.54) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL5459706 0.82 BRD3 (0.59) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL5454074 0.82 BRD3 (0.67) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL4021476 0.81 SIRT1 (0.61) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL5460625 0.81 SIRT1 (0.53) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL5445807 0.80 GAA (0.61) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL5452182 0.79 GAA (0.55) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL5450144 0.79 BRD3 (0.63) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL5459636 0.79 GAA (0.55) MAPTALOX15SMN1; SMN2GAACASP6
SCHEMBL5459031 0.79 SMN1; SMN2 (0.63) MAPTALOX15SMN1; SMN2GAACASP6

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-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 MAPT 3817/4885ALOX15 655/4885SMN1; SMN2 4824/4885

“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.