SCHEMBL1705441

SCHEMBL1705441

[CH2]SC1CCCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
HTR6 P50406 1/20 0.46
ADRA2A P08913 2/20 0.42
ADRA1A P35348 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR1A P08908 1/20 0.42
OPRM1 P35372 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CHRNA7 P36544 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL1705962 0.89 HTR6 (0.56) IDO1HTR6HTR1A
SCHEMBL19806817 0.82 IDO1 (0.50) IDO1HTR6ADRA2AADRA1ACYP2D6
SCHEMBL1705468 0.81 IDO1 (0.46) IDO1HTR6HTTTSHRALDH1A1
SCHEMBL29704532 0.77 IDO1 (0.46) IDO1HTR6ADRA2AADRA1ACYP2D6
SCHEMBL466344 0.77 IDO1 (0.53) IDO1ADRA2AADRA1ACYP2D6LMNA
SCHEMBL29517913 0.77 IDO1 (0.53) IDO1ADRA2AADRA1ACYP2D6LMNA
SCHEMBL15004316 0.77 IDO1 (0.53) IDO1ADRA2AADRA1ACYP2D6LMNA
SCHEMBL12928463 0.77 IDO1 (0.53) IDO1ADRA2AADRA1ACYP2D6LMNA
SCHEMBL1105071 0.77 IDO1 (0.53) IDO1ADRA2AADRA1ACYP2D6LMNA
SCHEMBL29357487 0.76 IDO1 (0.57) IDO1ADRA2AADRA1ACYP2D6LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440517-B1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2014-03-26 EP disclosed
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
EP-2440517-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-04-18 EP disclosed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP disclosed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO disclosed
WO-2010144378-A2 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US disclosed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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 (3 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-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 IDO1 1301/4885HTR6 1535/4885ADRA2A 2564/4885
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC7 IDO1 1301/4885HTR6 1535/4885ADRA2A 2564/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 IDO1 1017/4885HTR6 2334/4885ADRA2A 3619/4885

“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.