SCHEMBL9963499

SCHEMBL9963499

Cc1c2nc(NCC(=O)N3CCCC3)sc2cc2sc(Nc3c(Cl)cccc3Cl)nc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
GAA P10253 1/20 0.41
LCK P06239 5/20 0.41
HSD11B1 P28845 1/20 0.38
FYN P06241 1/20 0.38
SRC P12931 1/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.38
DHODH Q02127 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL9963479 0.86 PTGS2 (0.45) PTGS2GAALMNAALDH1A1SMN1; SMN2
SCHEMBL9963695 0.83 PTGS2 (0.49) PTGS2GAAALDH1A1MAPT
SCHEMBL9963545 0.82 PTGS2 (0.51) PTGS2GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL9963593 0.82 PTGS2 (0.46) PTGS2GAAALDH1A1MAPT
SCHEMBL9963484 0.81 PTGS2 (0.45) PTGS2GAAALDH1A1SMN1; SMN2
SCHEMBL9963553 0.81 PTGS2 (0.47) PTGS2GAAALDH1A1MAPT
SCHEMBL9963584 0.81 PTGS2 (0.51) PTGS2GAAALDH1A1SMN1; SMN2MAPT
SCHEMBL9963539 0.80 PTGS2 (0.43) PTGS2GAALMNAALDH1A1
SCHEMBL9963527 0.80 PTGS2 (0.45) PTGS2GAALMNAHTTALDH1A1
SCHEMBL9963574 0.79 PTGS2 (0.44) PTGS2LMNAALDH1A1SMN1; SMN2MAPT

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-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
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 2872/4885GAA 506/4885LCK 2502/4885

“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.