SCHEMBL4284342

SCHEMBL4284342

COc1ccc[c]c1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.40
HTR1A P08908 8/20 0.40
HTR2B P41595 8/20 0.40
HTR5A P47898 7/20 0.40
HTR6 P50406 7/20 0.40
HTR1D P28221 6/20 0.40
HTR1B P28222 6/20 0.40
HTR2A P28223 6/20 0.40
HTR2C P28335 6/20 0.40
HTR1E P28566 4/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
HTR3A P46098 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL2372578 0.85 APP (0.47) HTR7CA12CA1CA2CA4
SCHEMBL8124307 0.81 CA1 (0.41) HTR7CA12CA1CA2CA4
SCHEMBL7370333 0.79 TP53 (0.52) CA12CA1CA2CA4CA7
SCHEMBL8125032 0.79 NFE2L2 (0.42) HTR7CA12CA1CA2CA4
SCHEMBL3990580 0.79 CYP2A6 (0.44) L3MBTL1TSHRHSD17B10NPC1ALDH1A1
SCHEMBL2885322 0.79 CA1 (0.50) CA12CA1CA2CA4CA7
SCHEMBL8560761 0.77 CYP2A6 (0.43) L3MBTL1TSHRNPC1ALDH1A1TP53
SCHEMBL7084083 0.77 MAPT (0.47) CA12CA1CA2CA4CA7
SCHEMBL7006398 0.77 CA1 (0.38) CA12CA1CA2CA4CA7
SCHEMBL2027163 0.77 APP (0.46) HTR7CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 HTR7 2891/4885HTR1A 3787/4885HTR2B 3851/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR7 3111/4885HTR1A 3992/4885HTR2B 3934/4885

“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.