SCHEMBL6740652

SCHEMBL6740652

Cc1ccc(I)c(C(=O)NC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
SYK P43405 3/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CSNK2A1 P68400 1/20 0.38
HDAC7 Q8WUI4 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
SCHEMBL6741533 0.83 POLB (0.42) POLBAPEX1MAOAMAOBMEN1
SCHEMBL4599083 0.82 SMN1; SMN2 (0.49) POLBAPEX1SYKCYP2C19MAOA
SCHEMBL13152438 0.79 MAPT (0.47) POLBAPEX1SYKCYP2C19MAOA
SCHEMBL12121090 0.79 POLB (0.54) POLBAPEX1SYKCYP2C19MAOA
SCHEMBL4926140 0.79 SMN1; SMN2 (0.51) POLBAPEX1SYKKMT2AMAPT
SCHEMBL28371006 0.78 KCNMA1 (0.48) POLBCYP2C19MEN1KMT2AMAPT
SCHEMBL6740430 0.77 MEN1 (0.55) POLBAPEX1MAOAMAOBMEN1
SCHEMBL27930263 0.76 RAB9A (0.55) POLBMAOBMEN1KMT2AMAPT
SCHEMBL16261170 0.76 POLB (0.42) POLBAPEX1SYKCYP2C19MAOA
SCHEMBL16542350 0.76 POLB (0.43) POLBAPEX1SYKCYP2C19MAOA

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-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC POLB 632/4885APEX1 3333/4885SYK 3372/4885

“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.