SCHEMBL10147394

SCHEMBL10147394

Cc1ccc2c(c1)Cc1[nH]c(C(C)C)nc1CC2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TYMS P04818 5/20 0.38
CYP1A2 P05177 1/20 0.33
ADRA2A P08913 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPY5R Q15761 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL10118795 0.86 SCN10A (0.32) KDM4ELMNAHSD17B10HPGD
SCHEMBL15889026 0.82 KDM4E (0.43) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL15042824 0.82 DRD1 (0.38) KDM4EALDH1A1TYMSCYP1A2LMNA
SCHEMBL19486054 0.82 XDH (0.32)
SCHEMBL16383865 0.78 MAPT (0.40) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL12437142 0.78 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL10141032 0.76 TYMS (0.39) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL13464938 0.76 NPY5R (0.39) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL13160123 0.74 SCN10A (0.33) KDM4ELMNAHSD17B10HPGD
SCHEMBL13561501 0.74 KDM4E (0.44) KDM4EALDH1A1POLBGAAMAPT

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-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 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-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 KDM4E 1318/4885ALDH1A1 984/4885POLB 98/4885

“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.