SCHEMBL1430176

SCHEMBL1430176

CCCNC(=O)Nc1cc(C(N)=O)c(Br)cn1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 1/20 0.38
NNMT P40261 1/20 0.38

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
SCHEMBL1430102 0.90 NPC1 (0.47) EPHX2NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL1430029 0.89 MAPK1 (0.46) EPHX2MAPK1
SCHEMBL1430659 0.86 MAPK1 (0.48) EPHX2NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL13578554 0.84 EPHX2 (0.50) EPHX2NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL1554212 0.80 RAB9A (0.46) EPHX2RAB9AMAPK1NNMT
SCHEMBL1430493 0.79 MAPK1 (0.45) MAPK1
SCHEMBL13419098 0.78 MAP4K1 (0.43) MAPK1NNMT
SCHEMBL12832808 0.77 EPHX2 (0.45) EPHX2NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL1505427 0.77 MAPK1 (0.47) MAPK1
SCHEMBL13080476 0.75 NNMT (0.63) NPC1RAB9AMAPK1NNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
EP-2300463-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-03-30 EP disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
WO-2009147433-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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 (2 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-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 EPHX2 2532/4885NPC1 1566/4885RAB9A 2444/4885
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 EPHX2 1658/4885NPC1 1917/4885RAB9A 2690/4885

“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.