SCHEMBL3736835

SCHEMBL3736835

Cc1ccc(NN(C=O)Cc2cc(CN3CCN(C(=O)C(C)C)CC3)ccc2C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
FAAH O00519 4/20 0.39
ALDH1A1 P00352 2/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH2 P05091 1/20 0.39
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39
ABL1 P00519 1/20 0.38
KIT P10721 1/20 0.38
BCR P11274 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
HTT P42858 2/20 0.36
MTNR1B P49286 1/20 0.35
LMNA P02545 2/20 0.35
CHRNA7 P36544 1/20 0.35
MAP4K4 O95819 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL3733819 0.85 PIK3CA (0.38) ALDH1A1ABL1KITBCRHTT
SCHEMBL3736977 0.84 PIK3CA (0.46) ALDH1A1
SCHEMBL4237480 0.80 NAMPT (0.42) LTA4HFAAHALDH1A1ALDH1A2ALDH2
SCHEMBL401481 0.73 MTNR1B (0.44) LTA4HFAAHALDH1A1ALDH1A2ALDH2
SCHEMBL3736931 0.71 MEN1 (0.44) FAAHALDH1A1ABL1KITBCR
SCHEMBL3738760 0.71 NAMPT (0.42) FAAHABL1KITBCRHTT
SCHEMBL3746384 0.70 PIK3CA (0.42) FAAHABL1KITBCRHTT
SCHEMBL3742929 0.69 LMNA (0.45) FAAHALDH1A1ABL1HTTLMNA
SCHEMBL4240544 0.68 NAMPT (0.46) ABL1KITBCR
SCHEMBL3196669 0.67 FAAH (0.47) FAAHABL1KITBCRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US claimed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US claimed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO claimed
US-7825120-B2 Certain substituted ((piperazin-1-ylmethyl)benzyl)ureas CYTOKINETICS, INC. (US) 2010-11-02 US disclosed
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
US-20070197504-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 US disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 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 (1 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-20070197504-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 LTA4H 3839/4885FAAH 4811/4885ALDH1A1 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.