SCHEMBL9946569

SCHEMBL9946569

CCOC(=O)c1cc(N)c(NCC(F)F)cc1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 0.42
LGMN Q99538 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9944762 0.88 GAA (0.51) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9947058 0.87 ALDH1A1 (0.36) GAAALDH1A1HSD17B10LMNAL3MBTL1
SCHEMBL9944865 0.85 LMNA (0.49) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9946572 0.84 MAPT (0.52) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9947061 0.84 PTGER4 (0.37) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9944873 0.76 ALDH1A1 (0.39) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9944877 0.74 ALDH1A1 (0.46) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4100817 0.73 GAA (0.53) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15487529 0.73 GAA (0.58) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9944869 0.72 ALDH1A1 (0.42) GAAALDH1A1KDM4EHPGDHSD17B10

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 GAA 1609/4885ALDH1A1 126/4885KDM4E 3442/4885

“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.