SCHEMBL16491920

SCHEMBL16491920

COc1ccc(NC(=N)c2ccccc2OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 5/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
METAP2 P50579 1/20 0.49
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.48
PNLIP P16233 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL5445011 0.89 RAB9A (0.53) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL16491930 0.87 RAB9A (0.54) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL5449981 0.86 ATM (0.56) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL16489243 0.86 ALDH1A1 (0.65) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL28565515 0.83 RAB9A (0.59) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL28223304 0.83 NPC1 (0.50) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL16469273 0.82 L3MBTL1 (0.46) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL3949532 0.81 KMT2A (0.78) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL16491931 0.79 RAB9A (0.44) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL16489223 0.79 KMT2A (0.58) RAB9ANPC1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2020-05-19 US disclosed
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 US disclosed
US-9974775-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2018-05-22 US disclosed
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2016-10-27 US disclosed
US-9453002-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2016-09-27 US disclosed
US-20150051225-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 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 (4 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-20150051225-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S RAB9A 769/4885NPC1 643/4885MAPT 1070/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S RAB9A 769/4885NPC1 643/4885MAPT 1070/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S RAB9A 769/4885NPC1 643/4885MAPT 1070/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S RAB9A 769/4885NPC1 643/4885MAPT 1070/4885

“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.