SCHEMBL1671607

SCHEMBL1671607

COc1ccc(N)cc1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
MAPT P10636 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
HSD17B10 Q99714 2/20 0.69
GFER P55789 1/20 0.69
POLB P06746 2/20 0.66
CYP1A2 P05177 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
KDM4E B2RXH2 3/20 0.59
HTT P42858 2/20 0.59
HPGD P15428 2/20 0.59
NPSR1 Q6W5P4 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
STAT3 P40763 1/20 0.57
ABCB1 P08183 1/20 0.57

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
SCHEMBL18146369 0.86 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL16448830 0.86 ALDH1A1 (0.72) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL1726342 0.84 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL1351280 0.84 POLB (0.70) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL14345265 0.82 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL1671892 0.81 SMN1; SMN2 (0.51) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL1353326 0.81 ALDH1A1 (0.78) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL728419 0.81 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL24118888 0.80 POLB (0.78) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER
SCHEMBL1671693 0.80 PTGES (0.55) ALDH1A1MAPTSMN1; SMN2HSD17B10GFER

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 WO disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 ALDH1A1 228/4885MAPT 4476/4885SMN1; SMN2 3540/4885

“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.