SCHEMBL17830759

SCHEMBL17830759

O=C(CCl)Nc1nc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
HSD17B10 Q99714 2/20 0.69
MAPK1 P28482 1/20 0.69
KDM4E B2RXH2 1/20 0.67
LMNA P02545 3/20 0.65
CYP3A4 P08684 1/20 0.65
RAB9A P51151 9/20 0.64
NPC1 O15118 8/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
TP53 P04637 1/20 0.64
ALOX12 P18054 1/20 0.64
SPHK2 Q9NRA0 1/20 0.63
SPHK1 Q9NYA1 1/20 0.63
PKM P14618 1/20 0.61
MAOB P27338 1/20 0.61
ADORA2A P29274 1/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
STAT3 P40763 1/20 0.60

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
SCHEMBL27846960 0.88 NPC1 (0.69) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL7933620 0.86 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL28389973 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL11167021 0.84 NPC1 (0.72) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL8540574 0.84 CYP3A4 (0.69) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL29500234 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL9431221 0.84 NPC1 (0.76) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL6234451 0.83 LMNA (0.72) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL5897862 0.83 NPC1 (0.71) ALDH1A1HSD17B10MAPK1KDM4ELMNA
SCHEMBL11584604 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2024-01-18 US disclosed
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 US disclosed
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS CORNELL UNIVERSITY 2016-06-16 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 (2 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-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF OGA, OGT, ENGASE ALDH1A1 1141/4885HSD17B10 2571/4885MAPK1 3361/4885
US-20160166549-A1 BCL6 INHIBITORS AS ANTICANCER AGENTS BCL6, BCL6B, BAZ2A ALDH1A1 4832/4885HSD17B10 2511/4885MAPK1 3102/4885

“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.