SCHEMBL10193446

SCHEMBL10193446

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.41
GRIK1 P39086 1/20 0.41
ESR1 P03372 8/20 0.39
L3MBTL1 Q9Y468 3/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAOB P27338 2/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL981921 0.90 GRIK2 (0.48) GRIK2GRIK1ESR1L3MBTL1LMNA
SCHEMBL10193447 0.90 GRIK2 (0.42) GRIK2GRIK1ESR1L3MBTL1LMNA
SCHEMBL10193441 0.89 GRIK2 (0.44) GRIK2GRIK1ESR1L3MBTL1LMNA
SCHEMBL10193452 0.89 GRIK2 (0.41) GRIK2GRIK1ESR1L3MBTL1LMNA
SCHEMBL10193531 0.89 GRIK2 (0.44) GRIK2GRIK1ESR1L3MBTL1LMNA
SCHEMBL10193460 0.83 GRIK2 (0.37) GRIK2GRIK1ESR1L3MBTL1ALDH1A1
SCHEMBL10193451 0.83 ALDH1A1 (0.42) GRIK2GRIK1ESR1HTTSMN1; SMN2
SCHEMBL10193457 0.83 MTNR1A (0.43) ESR1L3MBTL1LMNAALDH1A1MAPK1
SCHEMBL10193465 0.83 ALDH1A1 (0.42) GRIK2GRIK1L3MBTL1ALDH1A1MEN1
SCHEMBL10193445 0.82 HRH3 (0.51) ESR1SMN1; SMN2ALDH1A1MAPK1HRH2

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 4 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
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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 (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 GRIK2 3701/4885GRIK1 3372/4885ESR1 2188/4885
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GRIK2 4399/4885GRIK1 4352/4885ESR1 4618/4885

“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.