SCHEMBL9963606

SCHEMBL9963606

CN(C)C(=O)CNc1nc2cc3nc(NCC(=O)N4CCCCCC4)sc3cc2s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.47
FABP4 P15090 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
SCD O00767 1/20 0.38
DRD2 P14416 1/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ACP1 P24666 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
PRMT3 O60678 1/20 0.36
BAZ1A Q9NRL2 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL9963627 0.89 PTGS2 (0.53) PTGS2FABP4LMNAMAPK1SCD
SCHEMBL9963610 0.86 PTGS2 (0.54) PTGS2FABP4LMNAMAPK1SCD
SCHEMBL9963603 0.85 PTGS2 (0.53) PTGS2FABP4LMNAMAPK1SCD
SCHEMBL9966068 0.79 PTGS2 (0.48) PTGS2FABP4LMNARAB9AALDH1A1
SCHEMBL9963600 0.79 LMNA (0.42) PTGS2LMNAMAPK1SCDRAB9A
SCHEMBL16254828 0.78 PTGS2 (0.47) PTGS2FABP4LMNAMAPK1SCD
SCHEMBL9963611 0.78 FABP4 (0.46) PTGS2FABP4LMNAMAPK1SCD
SCHEMBL9963590 0.77 PTGS2 (0.41) PTGS2FABP4DRD2ALDH1A1TSHR
SCHEMBL9963483 0.76 PTGS2 (0.51) PTGS2RAB9AALDH1A1POLB
SCHEMBL9963594 0.75 PTGS2 (0.41) PTGS2FABP4RAB9AALDH1A1TP53

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-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 PTGS2 2872/4885FABP4 1794/4885LMNA 157/4885

“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.