SCHEMBL1671128

SCHEMBL1671128

Nc1ccc(F)c(C(=O)Nc2ccc(Br)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
LMNA P02545 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 4/20 0.53
TP53 P04637 3/20 0.53
MEN1 O00255 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
HTT P42858 2/20 0.50
EGFR P00533 1/20 0.50
ERBB2 P04626 1/20 0.50
CYP1A2 P05177 1/20 0.50
LCK P06239 1/20 0.50
CYP2C9 P11712 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL18146857 0.88 LMNA (0.61) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL12799516 0.85 KMT2A (0.50) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL6812861 0.84 MEN1 (0.58) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL15847417 0.84 RAB9A (0.55) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL21105453 0.82 MEN1 (0.55) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL16448829 0.82 KMT2A (0.57) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL1671892 0.82 SMN1; SMN2 (0.51) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL1671998 0.82 KMT2A (0.56) KMT2ALMNANPC1RAB9AALDH1A1
SCHEMBL6816710 0.81 LMNA (0.57) KMT2ALMNANPC1RAB9AMAPT
SCHEMBL18147009 0.79 LMNA (0.50) KMT2ALMNANPC1RAB9AALDH1A1

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 9 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
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
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

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 KMT2A 2631/4885LMNA 2939/4885NPC1 1991/4885

“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.