SCHEMBL14970107

SCHEMBL14970107

Cc1nc2ncc(Cl)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
HSD17B10 Q99714 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
LTA4H P09960 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HSD11B1 P28845 1/20 0.33
AURKA O14965 1/20 0.33

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
SCHEMBL745222 0.80 HRH3 (0.44) HRH3HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL7912720 0.80 SMN1; SMN2 (0.43) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19061756 0.77 SMN1; SMN2 (0.50) HRH3HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL22333711 0.77 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL19001707 0.77 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1761356 0.77 HRH3 (0.43) HRH3HSD17B10ALDH1A1MAPTHPGD
SCHEMBL558730 0.77 ALDH1A1 (0.52) HRH3HSD17B10SMN1; SMN2RAB9AALDH1A1
SCHEMBL21604598 0.77 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4619770 0.77 SMN1; SMN2 (0.44) HRH3HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL10220839 0.77 HRH3 (0.40) HRH3HSD17B10ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4190784-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2023-06-07 EP disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 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 (5 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 HRH3 220/4885HSD17B10 2469/4885SMN1; SMN2 813/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 HRH3 220/4885HSD17B10 2469/4885SMN1; SMN2 813/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 HRH3 220/4885HSD17B10 2469/4885SMN1; SMN2 813/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 HRH3 220/4885HSD17B10 2469/4885SMN1; SMN2 813/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 HRH3 220/4885HSD17B10 2469/4885SMN1; SMN2 813/4885

“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.