SCHEMBL16489209

SCHEMBL16489209

CCOc1ncccc1C(=N)Nc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
LMNA P02545 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
RAB9A P51151 2/20 0.46
PPARG P37231 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 7/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
POLB P06746 2/20 0.43
ATM Q13315 2/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL16489245 0.88 KMT2A (0.44) NPC1TSHRL3MBTL1LMNARXFP1
SCHEMBL16489225 0.84 NPC1 (0.73) NPC1TSHRL3MBTL1RXFP1PPARG
SCHEMBL16489211 0.78 GRM4 (0.55) NPC1L3MBTL1LMNARAB9AKMT2A
SCHEMBL16489229 0.78 ALDH1A1 (0.46) NPC1L3MBTL1LMNARAB9AKMT2A
SCHEMBL16489224 0.77 GRM4 (0.41) NPC1TSHRRAB9AKMT2AALDH1A1
SCHEMBL16489241 0.77 MAPT (0.46) NPC1TSHRL3MBTL1LMNARAB9A
SCHEMBL16489220 0.77 GRM4 (0.40) NPC1TSHRL3MBTL1LMNARXFP1
SCHEMBL17064041 0.77 NPC1 (0.51) NPC1TSHRL3MBTL1LMNARXFP1
SCHEMBL16491917 0.73 KMT2A (0.50) NPC1TSHRL3MBTL1RXFP1RAB9A
SCHEMBL16491940 0.72 PPARG (0.45) NPC1TSHRLMNARXFP1RAB9A

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 NPC1 643/4885TSHR 2085/4885L3MBTL1 2423/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S NPC1 643/4885TSHR 2085/4885L3MBTL1 2423/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S NPC1 643/4885TSHR 2085/4885L3MBTL1 2423/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S NPC1 643/4885TSHR 2085/4885L3MBTL1 2423/4885

“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.