SCHEMBL9899392

SCHEMBL9899392

CNc1cc(Cl)c(C(=O)NCCC(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL9944775 0.86 TDP1 (0.50) MAPTHTTGAANPC1RAB9A
SCHEMBL2709805 0.78 MAPT (0.50) MAPTHTTGAANPC1RAB9A
SCHEMBL9897513 0.77 ALDH1A1 (0.49) MAPTHTTGAANPC1RAB9A
SCHEMBL9897509 0.77 ALDH1A1 (0.49) MAPTHTTGAANPC1RAB9A
SCHEMBL9898957 0.76 HCAR3 (0.55) MAPTHTTNPC1RAB9AALDH1A1
SCHEMBL9898442 0.76 PTGES (0.45) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL1728088 0.75 NPC1 (0.52) MAPTHTTNPC1RAB9AALDH1A1
SCHEMBL28316747 0.74 ALDH1A1 (0.47) MAPTHTTNPC1RAB9AALDH1A1
SCHEMBL9944988 0.74 NPC1 (0.44) MAPTHTTGAANPC1RAB9A
SCHEMBL9899302 0.74 HCAR3 (0.44) MAPTHTTGAANPC1RAB9A

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 MAPT 4336/4885HTT 4506/4885GAA 1609/4885

“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.