SCHEMBL13688463

SCHEMBL13688463

C(=C\c1ccccc1)\NNc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
FABP1 P07148 1/20 0.42
FABP6 P51161 1/20 0.42
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
PKM P14618 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
DHODH Q02127 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL4006200 1.00 MEN1 (0.42) MEN1KMT2AMAPK10GFERFABP1
SCHEMBL4006196 1.00 MEN1 (0.42) MEN1KMT2AMAPK10GFERFABP1
SCHEMBL4085100 0.83 NPC1 (0.54) MEN1KMT2AMAPK10GFERFABP1
SCHEMBL4085102 0.83 NPC1 (0.54) MEN1KMT2AMAPK10GFERFABP1
SCHEMBL10405315 0.75 MEN1 (0.61) MEN1KMT2AMAPK10GFERFABP1
SCHEMBL1448814 0.75 NPC1 (0.48) MEN1KMT2AMAPK10GFERFABP1
Hydrochloric Acid SCHEMBL8742967 0.73 MEN1 (0.58) MEN1KMT2AMAPK10GFERFABP1
SCHEMBL28495726 0.71 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1855728 0.71 RAB9A (0.49) MEN1KMT2AMAPK10GFERFABP1
SCHEMBL19418969 0.70 ALDH1A1 (0.55) MEN1KMT2AMAPK10GFERFABP1

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-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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 (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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 MEN1 157/4885KMT2A 2691/4885MAPK10 1041/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG MEN1 183/4885KMT2A 2789/4885MAPK10 958/4885

“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.