SCHEMBL9955356

SCHEMBL9955356

CN(C)c1c(Cl)cc(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.38
CRHR1 P34998 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PYCR1 P32322 1/20 0.34
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2091395 0.78 ALDH1A1 (0.45) ALDH1A1POLBMAPK1MEN1MAPT
SCHEMBL19657347 0.77 NMT1 (0.32) NMT1
SCHEMBL8577057 0.74 ALDH1A1 (0.50) ALDH1A1POLBMAPK1MAPTKMT2A
SCHEMBL8577054 0.74
SCHEMBL22004780 0.73 PYCR1 (0.31) CRHR1PYCR1
SCHEMBL635998 0.72 MEN1 (0.35) ALDH1A1PYCR1POLBMAPK1MEN1
SCHEMBL1751110 0.71 NMT1 (0.50) NMT1CRHR1ALDH1A1POLBMAPK1
SCHEMBL5354779 0.71 NMT1 (0.44) NMT1CRHR1
SCHEMBL23381622 0.69 GABRA1 (0.32) NMT1CRHR1ALDH1A1POLB
SCHEMBL6726449 0.69 ALDH1A1 (0.44) ALDH1A1PYCR1POLBMAPK1MEN1

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-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-9066945-B2 Ectoparasiticidal active substance combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-30 US disclosed
US-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-26 US disclosed
US-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-26 US disclosed
US-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-26 US disclosed
EP-2654425-A2 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer Intellectual Property GmbH (DE) 2013-10-30 EP disclosed
WO-2012084852-A2 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER ANIMAL HEALTH GMBH (DE) 2012-06-28 WO disclosed
WO-2012084852-A2 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER ANIMAL HEALTH GMBH (DE) 2012-06-28 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-20140179623-A1 ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS EPX, CAT, PIGO NMT1 3272/4885CRHR1 2829/4885ALDH1A1 2177/4885

“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.