SCHEMBL4277668

SCHEMBL4277668

N#Cc1ccc(-c2ccc[c]c2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.39
CYP11B2 P19099 5/20 0.37
TSHR P16473 1/20 0.37
KIF11 P52732 2/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
AR P10275 1/20 0.35
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2A6 P11509 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA1 P00915 1/20 0.34
ESR2 Q92731 1/20 0.34
PDK2 Q15119 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL5144593 0.83 CLK4 (0.47) MAOBPDK2HDAC8
SCHEMBL28946281 0.80 CYP11B2 (0.42) MMP3CYP11B2TSHRKIF11MAOB
SCHEMBL8578173 0.80 PTGS1 (0.41) MMP3CYP11B2TSHRKIF11MAOB
SCHEMBL3978906 0.78 CYP2A6 (0.50) MAOBPTGS1ALDH1A1CYP2A6HDAC8
SCHEMBL435264 0.78 CYP1A2 (0.42) TSHRPTGS1ALDH1A1CYP2A6
SCHEMBL4281566 0.76 CYP2A6 (0.48) MMP3ALDH1A1CYP2A6ESR2
SCHEMBL20998031 0.76 MMP3 (0.45) MMP3CYP11B2TSHRKIF11MAOB
SCHEMBL31463164 0.75 TSHR (0.57) MMP3CYP11B2TSHRKIF11MAOB
SCHEMBL4274650 0.75 EGLN2 (0.40) CYP11B2ALDH1A1
SCHEMBL17514769 0.75 EGLN2 (0.36) CYP11B2KIF11AR

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 MMP3 4170/4885CYP11B2 1995/4885TSHR 4482/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 MMP3 4183/4885CYP11B2 1990/4885TSHR 4548/4885

“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.