SCHEMBL10193442

SCHEMBL10193442

CCn1c(-c2ccc(O)cc2)c(C#N)c2ccc(C)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.42
ESR2 Q92731 5/20 0.42
KDM4E B2RXH2 4/20 0.39
GRIK2 Q13002 2/20 0.39
GRIK1 P39086 1/20 0.39
AR P10275 2/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
USP7 Q93009 1/20 0.36
MMP3 P08254 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL10193331 0.87 KDM4E (0.40) KDM4EGRIK2GRIK1MAOAMAOB
SCHEMBL10193335 0.86 KDM4E (0.38) KDM4EGRIK2MAOAMEN1ALDH1A1
SCHEMBL979587 0.85 GRIK2 (0.52) ESR1ESR2KDM4EGRIK2GRIK1
SCHEMBL10097250 0.85 KDM4E (0.41) ESR1ESR2KDM4EGRIK2GRIK1
SCHEMBL2881906 0.85 KDM4E (0.41) ESR1ESR2KDM4EGRIK2GRIK1
SCHEMBL10193424 0.85 GRIK2 (0.37) KDM4EGRIK2GRIK1MAOAMAOB
SCHEMBL10097251 0.84 ALDH1A1 (0.49) ESR1KDM4EGRIK2ARMAOA
SCHEMBL10095454 0.84 AR (0.43) ESR1ESR2KDM4EARMEN1
SCHEMBL10193469 0.84 ALOX15 (0.41) ESR1ESR2KDM4EGRIK2GRIK1
SCHEMBL10193531 0.84 GRIK2 (0.44) ESR1KDM4EGRIK2GRIK1MEN1

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-20110268698-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2011-11-03 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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 (2 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-20110268698-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, LIPC, HCCS ESR1 2188/4885ESR2 2148/4885KDM4E 3422/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ESR1 4618/4885ESR2 3592/4885KDM4E 3703/4885

“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.