SCHEMBL16489206

SCHEMBL16489206

COc1cccnc1C(=N)Nc1ccc(Cl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MALT1 Q9UDY8 2/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
NPY2R P49146 2/20 0.40
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL16489227 0.91 GRM4 (0.48) GRM4HDAC6MALT1SMN1; SMN2NPC1
SCHEMBL16491924 0.82 SMN1; SMN2 (0.48) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL16489224 0.81 GRM4 (0.41) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL16489231 0.80 NPC1 (0.52) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL16489210 0.76 NPC1 (0.41) GRM4HDAC6S1PR1SMN1; SMN2NPC1
SCHEMBL16491933 0.76 NPC1 (0.44) GRM4HDAC6SMN1; SMN2NPC1RAB9A
SCHEMBL6451038 0.74 PLAU (0.42) GRM4SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL16491925 0.74 ATM (0.41) RAB9AMAPTKDM4ETRPV1ALDH1A1
SCHEMBL16489229 0.72 ALDH1A1 (0.46) GRM4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16489241 0.71 MAPT (0.46) GRM4MALT1SMN1; SMN2NPC1RAB9A

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 11 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-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-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-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-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
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 GRM4 472/4885HDAC6 1191/4885MALT1 2356/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S GRM4 472/4885HDAC6 1191/4885MALT1 2356/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S GRM4 472/4885HDAC6 1191/4885MALT1 2356/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S GRM4 472/4885HDAC6 1191/4885MALT1 2356/4885

“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.