SCHEMBL784681

SCHEMBL784681

Cc1ncc2n1C(=O)N(C1CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)CCC3CCCC3)CC4)CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.36
F2 P00734 2/20 0.36
POLB P06746 2/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
BRD4 O60885 2/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 4/20 0.31
MEN1 O00255 2/20 0.31
ACHE P22303 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 2/20 0.31
CNR2 P34972 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 3/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL785550 0.82 ALDH1A1 (0.39) F10F2BRD4ALDH1A1TSHR
SCHEMBL785928 0.81 PDE10A (0.34) F10F2BRD4KMT2AMEN1
SCHEMBL784682 0.78 BRD4 (0.34) POLBBRD4ALDH1A1ACHESMN1; SMN2
SCHEMBL784376 0.76 F10 (0.39) F10POLBKMT2AALDH1A1MEN1
SCHEMBL784808 0.76 F10 (0.41) F10F2POLBKMT2AMEN1
SCHEMBL784595 0.75 ALDH1A1 (0.38) F10POLBKMT2AALDH1A1ACHE
SCHEMBL785822 0.75 POLB (0.36) POLBKMT2AALDH1A1MEN1ACHE
SCHEMBL785476 0.74 TAF1 (0.41) POLBKMT2AALDH1A1ACHETSHR
SCHEMBL784703 0.74 HTR1A (0.35) POLBKMT2AMEN1TSHRWDR5
SCHEMBL784259 0.74 POLB (0.37) POLBKMT2AALDH1A1MEN1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 (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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 F10 524/4885F2 455/4885POLB 3355/4885

“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.