SCHEMBL17385299

SCHEMBL17385299

O=C(Nc1ccc2[nH]ncc2c1)c1cc2sc(N3CCOCC3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAPK14 Q16539 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
JAK2 O60674 2/20 0.46
LRRK2 Q5S007 1/20 0.45
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 3/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CLK2 P49760 1/20 0.44
DYRK1A Q13627 1/20 0.44
PRKG1 Q13976 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
SGK2 Q9HBY8 1/20 0.44
STK17A Q9UEE5 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 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
SCHEMBL17385493 0.83 CYP3A4 (0.44) NPC1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL17385373 0.82 MTOR (0.42) CYP3A4CYP2D6CYP2C9KCNH2PIN1
SCHEMBL17385363 0.81 CHRNA7 (0.57) NPC1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL17385314 0.81 CYP3A4 (0.52) NPC1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL22678178 0.81 CYP3A4 (0.43) MAOBNPC1RAB9ACYP3A4CYP2D6
SCHEMBL22678143 0.80 MAPT (0.56) NPC1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL17385419 0.80 PIN1 (0.43) NPC1RAB9ACYP3A4CYP2D6CYP2C9
SCHEMBL17385500 0.79 ALDH1A1 (0.48) NPC1RAB9ALRRK2CYP3A4PIK3CA
SCHEMBL22677853 0.79 HIF1A (0.54) LRRK2CYP3A4CYP2D6CYP2C9KCNH2
SCHEMBL17385331 0.79 GAA (0.51) LRRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153756-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2022-05-19 US disclosed
EP-3157904-B1 ANTI-INFECTIVE COMPOUNDS PASTEUR INSTITUT KOREA (KR) 2020-11-18 EP disclosed
WO-2015193506-A1 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-12-23 WO 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 (1 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-20220153756-A1 ANTI-INFECTIVE COMPOUNDS RABGGTB, ELANE, SERPINB1 MAOB 3853/4885MAPK14 1136/4885NPC1 402/4885

“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.