SCHEMBL16489239

SCHEMBL16489239

COc1ccccc1C(=N)Nc1ccc(Br)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 3/20 0.45
KCNK3 O14649 3/20 0.45
KCNK9 Q9NPC2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.41
GRM4 Q14833 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL16489226 0.90 KMT2A (0.45) KMT2AALDH1A1MEN1NPC1KCNK3
SCHEMBL16489223 0.88 KMT2A (0.58) KMT2AALDH1A1MEN1NPC1KCNK3
SCHEMBL16489231 0.84 NPC1 (0.52) KMT2AALDH1A1MEN1NPC1KCNK3
SCHEMBL22498458 0.82 NPC1 (0.51) KMT2AMEN1NPC1MAPT
SCHEMBL16491930 0.82 RAB9A (0.54) KMT2AALDH1A1NPC1KCNK3KCNK9
SCHEMBL16489240 0.82 KDM4E (0.56) KMT2AALDH1A1MEN1NPC1SMN1; SMN2
SCHEMBL17396232 0.79 RAB9A (0.46) KMT2AALDH1A1MEN1NPC1SMN1; SMN2
SCHEMBL5445011 0.77 RAB9A (0.53) KMT2AALDH1A1MEN1NPC1KCNK3
SCHEMBL22498535 0.76 LRRK2 (0.49) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL16491920 0.76 RAB9A (0.54) KMT2AALDH1A1MEN1NPC1SMN1; 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 KMT2A 3077/4885ALDH1A1 1336/4885MEN1 660/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S KMT2A 3077/4885ALDH1A1 1336/4885MEN1 660/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S KMT2A 3077/4885ALDH1A1 1336/4885MEN1 660/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S KMT2A 3077/4885ALDH1A1 1336/4885MEN1 660/4885

“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.