SCHEMBL2882776

SCHEMBL2882776

Cc1cnc(C(=O)c2ccc(F)c(F)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
RAB9A P51151 2/20 0.59
KCNQ3 O43525 4/20 0.52
KCNQ2 O43526 4/20 0.52
HSD17B14 Q9BPX1 3/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.44
VNN1 O95497 4/20 0.43
KCNQ5 Q9NR82 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
SCHEMBL756842 0.82 NPC1 (0.60) NPC1SMN1; SMN2RAB9ACES2CES1
SCHEMBL2882824 0.78 VNN1 (0.42) NPC1SMN1; SMN2RAB9AKCNQ3KCNQ2
SCHEMBL12975496 0.76 VNN1 (0.56) KCNQ3KCNQ2HSD17B14HSD17B1HSD17B2
SCHEMBL7493215 0.75 POLB (0.52) NPC1SMN1; SMN2RAB9AALDH1A1GAA
SCHEMBL12975442 0.74 CES2 (0.47) KCNQ3KCNQ2HSD17B14HSD17B1HSD17B2
SCHEMBL7967901 0.73 CES2 (0.73) RAB9AKCNQ3KCNQ2HSD17B14HSD17B1
SCHEMBL1534957 0.73 VNN1 (0.49) KCNQ3KCNQ2HSD17B14HSD17B1HSD17B2
SCHEMBL13991056 0.71 CES2 (0.57) NPC1SMN1; SMN2RAB9AKCNQ3KCNQ2
SCHEMBL8845773 0.71 ALDH1A1 (0.64) SMN1; SMN2RAB9AHSD17B1HSD17B2CES2
SCHEMBL5213301 0.69 KCNQ3 (1.00) NPC1SMN1; SMN2RAB9AKCNQ3KCNQ2

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 NPC1 825/4885SMN1; SMN2 4128/4885RAB9A 236/4885
US-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 NPC1 1131/4885SMN1; SMN2 3309/4885RAB9A 2541/4885

“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.