SCHEMBL16489243

SCHEMBL16489243

COc1ccccc1C(=N)Nc1ccc(OC(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
MAPT P10636 5/20 0.57
GAA P10253 3/20 0.57
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.46
ALPL P05186 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TEAD4 Q15561 1/20 0.45
STAT3 P40763 1/20 0.43

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
SCHEMBL16491920 0.86 RAB9A (0.54) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL16491930 0.83 RAB9A (0.54) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL5445011 0.81 RAB9A (0.53) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL19902739 0.79 KMT2A (0.47) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL5449981 0.79 ATM (0.56) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL16489223 0.75 KMT2A (0.58) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL16469273 0.75 L3MBTL1 (0.46) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL28223304 0.73 NPC1 (0.50) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL16491931 0.73 RAB9A (0.44) ALDH1A1MAPTGAAKDM4ESMN1; SMN2
SCHEMBL10976678 0.72 PNLIP (0.60) ALDH1A1MAPTGAAKDM4ESMN1; SMN2

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 ALDH1A1 1336/4885MAPT 1070/4885GAA 2422/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S ALDH1A1 1336/4885MAPT 1070/4885GAA 2422/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S ALDH1A1 1336/4885MAPT 1070/4885GAA 2422/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S ALDH1A1 1336/4885MAPT 1070/4885GAA 2422/4885

“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.