SCHEMBL12020439

SCHEMBL12020439

O=C(Nc1ccccc1)c1ccc(COc2ccccc2)nc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
NPC1 O15118 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
RXFP1 Q9HBX9 2/20 0.66
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
P4HTM Q9NXG6 3/20 0.57
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NR1H4 Q96RI1 2/20 0.53
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL12020850 0.92 RAB9A (0.57) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL12020864 0.91 MEN1 (0.70) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL12020925 0.91 P4HTM (0.57) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL12020359 0.91 P4HTM (0.57) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL12020444 0.88 P4HTM (0.62) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL12020360 0.88 NPC1 (0.56) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL12020732 0.87 MEN1 (0.55) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL9566760 0.86 RAB9A (0.60) RAB9ANPC1MEN1KMT2ARXFP1
SCHEMBL12020926 0.85 MAPT (0.56) MEN1KMT2ARXFP1KDM4ELMNA
SCHEMBL12020427 0.84 NPC1 (0.58) RAB9ANPC1MEN1KMT2ARXFP1

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-8969389-B2 Substituted 6-methylnicotinamides as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2015-03-03 US disclosed
US-20110294858-A1 SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-12-01 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-20110294858-A1 SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM6 RAB9A 2376/4885NPC1 2704/4885MEN1 3758/4885

“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.