SCHEMBL9963556

SCHEMBL9963556

CN1CCN(C(=O)CNc2nc3c(C(F)(F)F)c4nc(NCC(=O)N5CCCC5)sc4cc3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.48
FABP4 P15090 1/20 0.43
STAT3 P40763 1/20 0.42
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 3/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 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
SCHEMBL9963519 0.91 PTGS2 (0.49) PTGS2FABP4STAT3MAPTL3MBTL1
SCHEMBL9963566 0.81 PTGS2 (0.47) PTGS2FABP4MAPTALDH1A1RAB9A
SCHEMBL9963503 0.81 PTGS2 (0.52) PTGS2FABP4STAT3MAPTKDM1A
SCHEMBL9963617 0.80 PTGS2 (0.47) PTGS2MAPTALDH1A1MEN1KMT2A
SCHEMBL9963597 0.80 PTGS2 (0.38) PTGS2FABP4MAPTL3MBTL1KMT2A
SCHEMBL9963576 0.79 PTGS2 (0.39) PTGS2FABP4ALDH1A1
SCHEMBL9963675 0.79 PTGS2 (0.55) PTGS2FABP4STAT3L3MBTL1KDM1A
SCHEMBL9966068 0.79 PTGS2 (0.48) PTGS2FABP4MAPTALDH1A1RAB9A
SCHEMBL9963635 0.79 PTGS2 (0.50) PTGS2FABP4MAPTALDH1A1RAB9A
SCHEMBL9963639 0.79 PTGS2 (0.44) PTGS2FABP4STAT3L3MBTL1KDM1A

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 2872/4885FABP4 1794/4885STAT3 2402/4885

“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.