SCHEMBL12437141

SCHEMBL12437141

Cc1ccc2c(c1)CCc1nc(C(C)(C)C)[nH]c1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.39
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SRD5A1 P18405 1/20 0.33
BRAF P15056 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
MPI P34949 1/20 0.32

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
SCHEMBL10141066 0.92 PARP10 (0.36) TYMSPARP10PARP11MAPTKDM4E
SCHEMBL12437143 0.92 PARP10 (0.36) TYMSPARP10PARP11MAPTKDM4E
SCHEMBL2705896 0.87 SCN10A (0.36) TYMSMAPTALDH1A1RAB9ABRAF
SCHEMBL18948588 0.82 MAPK10 (0.35) MAPTBRAFMAPK10
SCHEMBL10119929 0.82 KDM4E (0.33) KDM4EBRAFLMNA
SCHEMBL10141068 0.82 RAB9A (0.33) PARP10PARP11MAPTKDM4EALDH1A1
SCHEMBL2756736 0.82 TYMS (0.42) TYMSPARP10PARP11MAPTKDM4E
SCHEMBL19388112 0.81 BRAF (0.32) MAPTBRAF
SCHEMBL15113130 0.81 TYMS (0.44) TYMSMAPTKDM4EALDH1A1RAB9A
SCHEMBL15746227 0.81 MAPT (0.34) MAPTBRAF

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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 TYMS 1893/4885PARP10 2985/4885PARP11 2864/4885

“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.