SCHEMBL9955724

SCHEMBL9955724

CCOc1nccnc1NN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LRRK2 Q5S007 1/20 0.35
SLC6A2 P23975 2/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL943566 0.78 MEN1 (0.47) GRM5SMN1; SMN2NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL19552078 0.77 MEN1 (0.46) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL7598688 0.77 HPGD (0.52) GRM5HPGDSMN1; SMN2LRRK2SLC6A2
Ammonia Solution, Strong SCHEMBL28789679 0.74 HPGD (0.50) GRM5HPGDSMN1; SMN2LRRK2SLC6A2
SCHEMBL1620588 0.73 GAA (0.34) MEN1KMT2A
SCHEMBL28863144 0.71 HPGD (0.44) GRM5HPGDSMN1; SMN2LRRK2SLC6A2
SCHEMBL11465062 0.71 ALDH1A1 (0.39) SMN1; SMN2NPC1ALDH1A1KDM4EMAPT
SCHEMBL19552694 0.71 L3MBTL1 (0.47) GRM5HPGDSMN1; SMN2SLC6A2NPC1
SCHEMBL16579445 0.69 HPGD (0.45) GRM5HPGDSMN1; SMN2LRRK2MEN1
SCHEMBL2490706 0.69 HPGD (0.45) GRM5HPGDSMN1; SMN2LRRK2MEN1

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 GRM5 1651/4885HPGD 2000/4885SMN1; SMN2 3173/4885

“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.