SCHEMBL9946779

SCHEMBL9946779

NC(=O)CCNc1cc(N2CCOCC2)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1N

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 2/20 0.48
ABL1 P00519 5/20 0.46
KCNH2 Q12809 1/20 0.46
PTGES O14684 2/20 0.45
EPHX2 P34913 6/20 0.45
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9947059 0.88 PTGES (0.46) MAPTABL1PTGESEPHX2
SCHEMBL9898727 0.87 PTGES (0.49) MAPTALDH1A1GLAGAAABL1
SCHEMBL9945038 0.86 ALDH1A1 (0.52) MAPTALDH1A1PKMKDM4EMAPK1
SCHEMBL9946856 0.86 MAPT (0.53) MAPTALDH1A1GLAGAAABL1
SCHEMBL9946597 0.77 MAPT (0.48) MAPTABL1PTGESEPHX2
SCHEMBL9946643 0.76 PTGES (0.49) MAPTABL1PTGESEPHX2
SCHEMBL9945022 0.74 ALDH1A1 (0.43) MAPTALDH1A1GAAPKMKDM4E
SCHEMBL9946656 0.74 PTGES (0.48) MAPTGAAABL1PTGESEPHX2
SCHEMBL9898485 0.74 PTGES (0.47) MAPTALDH1A1GLAGAAABL1
SCHEMBL9944801 0.74 ALDH1A1 (0.55) MAPTALDH1A1PKMKDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES MAPT 4336/4885ALDH1A1 126/4885GLA 1124/4885

“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.