SCHEMBL5452277

SCHEMBL5452277

COC(=O)c1ccc2c(c1)c(C1CCCCC1)c(Br)n2CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
SCARB1 Q8WTV0 2/20 0.39
PPM1D O15297 1/20 0.39
RAB9A P51151 1/20 0.39
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL1173428 0.92 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL5444222 0.83 CDYL (0.41) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL771509 0.83 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL10293471 0.83 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL3085979 0.81 ALDH1A1 (0.40) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL3094367 0.81 RHEB (0.37) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL1173483 0.81 ALDH1A1 (0.42) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL4821597 0.80 ALDH1A1 (0.43) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL391724 0.79 ALDH1A1 (0.41) ALDH1A1NPSR1KDM4ELMNACYP3A4
SCHEMBL13095926 0.79 PRKCA (0.41) PTGDR2L3MBTL1

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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 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-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT ALDH1A1 119/4885NPSR1 458/4885KDM4E 2022/4885

“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.