SCHEMBL17201765

SCHEMBL17201765

COC(=O)c1cccnc1-c1nc(-c2ccc(Cl)cc2)ccc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PLA2G2A P14555 1/20 0.42
CNR1 P21554 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
ALOX5AP P20292 1/20 0.41

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
SCHEMBL15569111 0.88 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL6924337 0.85 SLC6A4 (0.59) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL17201766 0.84 KDM4E (0.58) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL17201769 0.83 KDM4E (0.57) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL17201771 0.81 KDM4E (0.47) SMN1; SMN2L3MBTL1TDP1KDM4EALOX5AP
SCHEMBL812065 0.79 KDM4E (0.59) RAB9AL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL15569110 0.78 KDM4E (0.53) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL29419188 0.77 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL15569131 0.74 TDP1 (0.45) SMN1; SMN2L3MBTL1SLC6A4SLC6A3TDP1
SCHEMBL19895143 0.74 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409881-B2 Herbicidally active 6′-phenyl-2,2′-bipyridine-3-carboxylic acid derivatives BAYER CROPSCIENCE AG (AG) 2016-08-09 US disclosed
US-20150307470-A1 HERBICIDALLY ACTIVE 6'-PHENYL-2,2'-BIPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-10-29 US 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-20150307470-A1 HERBICIDALLY ACTIVE 6'-PHENYL-2,2'-BIPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES CBR3, DDT, CBR1 NPC1 4588/4885RAB9A 2420/4885SMN1; SMN2 4166/4885

“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.