SCHEMBL9944865

SCHEMBL9944865

CCOC(=O)c1cc(N)c(NC)cc1N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.47
LGMN Q99538 1/20 0.46
PIK3CA P42336 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44

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 0.90 GAA (0.51) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL9944760 0.85 ALDH1A1 (0.47) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL9946569 0.85 GAA (0.47) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL9944918 0.84 ALDH1A1 (0.40) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL9944869 0.84 ALDH1A1 (0.42) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL9944864 0.82 ALDH1A1 (0.54) LMNAGAAALDH1A1HPGDPOLB
SCHEMBL9897728 0.81 ALDH1A1 (0.40) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9944861 0.81 ALDH1A1 (0.41) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL15487529 0.78 GAA (0.58) LMNAGAAALDH1A1KDM4EHPGD
SCHEMBL4100817 0.78 GAA (0.53) LMNAGAAALDH1A1KDM4EHPGD

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
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
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 LMNA 1817/4885GAA 1609/4885ALDH1A1 126/4885

“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.