SCHEMBL16489247

SCHEMBL16489247

COc1ccccc1C(=N)Nc1c(F)cc(C#N)cc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 4/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
KAT6A Q92794 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
STAT3 P40763 1/20 0.37
HPGDS O60760 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL16489244 0.85 NPC1 (0.42) NPC1SMN1; SMN2RAB9AL3MBTL1AR
SCHEMBL19902749 0.80 MAPT (0.38) NPC1SMN1; SMN2RAB9ALMNAPKM
SCHEMBL16469273 0.79 L3MBTL1 (0.46) NPC1SMN1; SMN2RAB9AGAALMNA
SCHEMBL16489228 0.78 KCNK3 (0.51) LMNAKCNK3KCNK9POLBALDH1A1
SCHEMBL20180831 0.74 NPC1 (0.55) NPC1SMN1; SMN2RAB9AGAALMNA
SCHEMBL16489216 0.73 ALDH1A1 (0.47) NPC1SMN1; SMN2RAB9ALMNAKCNK3
SCHEMBL16489223 0.73 KMT2A (0.58) NPC1SMN1; SMN2RAB9AGAAKCNK3
SCHEMBL16489230 0.73 ALDH1A1 (0.59) NPC1SMN1; SMN2RAB9AGAAKCNK3
SCHEMBL16489212 0.73 IMPDH2 (0.54) KCNK3KCNK9POLBALDH1A1AR
SCHEMBL16491930 0.72 RAB9A (0.54) NPC1SMN1; SMN2RAB9AGAALMNA

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 643/4885SMN1; SMN2 603/4885RAB9A 769/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S NPC1 643/4885SMN1; SMN2 603/4885RAB9A 769/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S NPC1 643/4885SMN1; SMN2 603/4885RAB9A 769/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S NPC1 643/4885SMN1; SMN2 603/4885RAB9A 769/4885

“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.