SCHEMBL2882824

SCHEMBL2882824

O=C(c1ccc(F)c(F)c1)c1cnc(CBr)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HSD17B14 Q9BPX1 3/20 0.41
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
KCNQ3 O43525 5/20 0.39
KCNQ2 O43526 5/20 0.39
KCNQ5 Q9NR82 1/20 0.39
IGFBP3 P17936 1/20 0.38
CHRNA7 P36544 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2882776 0.78 NPC1 (0.59) VNN1CES2CES1HSD17B14HSD17B1
SCHEMBL12975504 0.75 VNN1 (0.54) VNN1CES2CES1KCNQ3KCNQ2
SCHEMBL1534957 0.72 VNN1 (0.49) VNN1CES2CES1HSD17B14HSD17B1
SCHEMBL12975456 0.72 VNN1 (0.51) VNN1CES2CES1KCNQ3KCNQ2
SCHEMBL7967901 0.70 CES2 (0.73) VNN1CES2CES1HSD17B14HSD17B1
SCHEMBL30954340 0.69 KDM4E (0.44) SMN1; SMN2
SCHEMBL16598220 0.69 KDM4E (0.44) SMN1; SMN2
SCHEMBL2883258 0.68 CES2 (0.48) VNN1CES2CES1HSD17B14KCNQ3
Hydrochloric Acid SCHEMBL7428212 0.68 KDM4E (0.42) SMN1; SMN2
SCHEMBL17682270 0.68 KCNJ1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MSD K.K. (JP) 2010-12-23 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
US-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 EP 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-20100324049-A1 DIARYL KETIMINE DERIVATIVE HAVING ANTAGONISM AGAINST MELANIN-CONCENTRATING HORMONE RECEPTOR MC1R, MCHR1, MCHR2 VNN1 4191/4885CES2 2828/4885CES1 1529/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 VNN1 4382/4885CES2 1262/4885CES1 758/4885

“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.