SCHEMBL9944869

SCHEMBL9944869

CCOC(=O)c1cc(N)c(NC)cc1N1CCC(F)(F)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
KIF18A Q8NI77 9/20 0.38
HTR1A P08908 1/20 0.38
HSD17B10 Q99714 2/20 0.36
PRMT1 Q99873 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL9944873 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNAKIF18AHTR1A
SCHEMBL9947058 0.86 ALDH1A1 (0.36) ALDH1A1L3MBTL1LMNAKIF18AHTR1A
SCHEMBL9944865 0.84 LMNA (0.49) ALDH1A1L3MBTL1LMNAHSD17B10GAA
SCHEMBL9944760 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAHSD17B10GAA
SCHEMBL9944868 0.83 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGD
SCHEMBL9897859 0.82 KDM4E (0.38) ALDH1A1KIF18AHSD17B10GAAKDM4E
SCHEMBL9897728 0.82 ALDH1A1 (0.40) ALDH1A1L3MBTL1LMNAHSD17B10KDM4E
SCHEMBL9944861 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNAHSD17B10GAA
SCHEMBL9944918 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1LMNAHSD17B10GAA
SCHEMBL9944981 0.78 KIF18A (0.45) ALDH1A1L3MBTL1LMNAKIF18AHSD17B10

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 ALDH1A1 126/4885L3MBTL1 3016/4885LMNA 1817/4885

“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.