SCHEMBL9897728

SCHEMBL9897728

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LGMN Q99538 2/20 0.40
LMNA P02545 1/20 0.39
PTGER4 P35408 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
OPRK1 P41145 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9898451 0.89 KDM4E (0.45) ALDH1A1SCN10AALOX15NPSR1OPRK1
SCHEMBL9947061 0.87 PTGER4 (0.37) ALDH1A1L3MBTL1LGMNLMNAPTGER4
SCHEMBL9944760 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1LGMNLMNAPTGER4
SCHEMBL9899253 0.84 ALDH1A1 (0.44) ALDH1A1LMNANPSR1HPGDKMT2A
SCHEMBL9944869 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAKDM4EHPGD
SCHEMBL9944865 0.81 LMNA (0.49) ALDH1A1L3MBTL1LGMNLMNANPSR1
SCHEMBL9946576 0.81 PTGES (0.45) SCN10A
SCHEMBL9899614 0.80 OPRK1 (0.46) ALDH1A1L3MBTL1OPRK1KDM4EKMT2A
SCHEMBL9898794 0.80 PTGES (0.48) SCN10A
SCHEMBL9944861 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1LMNAPTGER4ALOX15

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 7 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
EP-2649051-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) 2013-10-16 EP 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
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 3016/4885LGMN 1279/4885

“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.