SCHEMBL16468867

SCHEMBL16468867

COc1ccccc1C(N)=Nc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPT P10636 2/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ HTR3E A5X5Y0 2/20 0.46
▸ HTR3B O95264 2/20 0.46
▸ HTR3A P46098 2/20 0.46
▸ HTR3D Q70Z44 2/20 0.46
▸ HTR3C Q8WXA8 2/20 0.46
▸ SLC22A2 O15244 1/20 0.46
▸ SLC22A1 O15245 1/20 0.46
▸ SLC22A3 O75751 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PRSS1 P07477 2/20 0.44

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
Hydrochloric Acid SCHEMBL11772520 0.85 CYP2D6 (0.50) SMN1; SMN2MAPTNPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL11772515 0.85 CYP2D6 (0.50) SMN1; SMN2MAPTNPC1HPGDRAB9A
SCHEMBL16469275 0.81 NOS3 (0.53) SMN1; SMN2MAPTNPC1HPGDRAB9A
SCHEMBL21379771 0.77 HTR3E (0.52) SMN1; SMN2NPC1HPGDRAB9AHTR3E
SCHEMBL21379768 0.77 HTR3E (0.52) SMN1; SMN2NPC1HPGDRAB9AHTR3E
Hydrochloric Acid SCHEMBL11770327 0.76 TAAR1 (0.65) SMN1; SMN2MAPTNPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL11772727 0.75 HTR3E (0.53) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
Hydrochloric Acid SCHEMBL11772735 0.75 HTR3E (0.53) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL23879961 0.74 GAA (0.61) SMN1; SMN2MAPTNPC1HPGDRAB9A
SCHEMBL105256 0.74 GAA (0.61) SMN1; SMN2MAPTNPC1HPGDRAB9A

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 9 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-9974775-B2 Substituted imidazoles as N-type calcium channel blockers JANSSEN PHARMACEUTICA NV (BE) 2018-05-22 — — US disclosed
EP-3033337-B1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2018-02-28 — — EP 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
EP-3033337-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS Janssen Pharmaceutica, N.V. (BE) 2016-06-22 — — EP disclosed
WO-2015023289-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS JANSSEN PHARMACEUTICA NV (BE) 2015-02-19 — — WO 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 SMN1; SMN2 603/4885MAPT 1070/4885NPC1 643/4885
US-10653673-B2 Substituted imidazoles as N-type calcium channel blockers CACNA1B, CACNA1E, CACNA1S SMN1; SMN2 603/4885MAPT 1070/4885NPC1 643/4885
US-20180161312-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S SMN1; SMN2 603/4885MAPT 1070/4885NPC1 643/4885
US-20160310468-A1 SUBSTITUTED IMIDAZOLES AS N-TYPE CALCIUM CHANNEL BLOCKERS CACNA1B, CACNA1E, CACNA1S SMN1; SMN2 603/4885MAPT 1070/4885NPC1 643/4885

“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.

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