SCHEMBL29411978

SCHEMBL29411978

Cc1ccccc1-c1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 1.00
RAB9A P51151 12/20 1.00
ALDH1A1 P00352 10/20 1.00
SMN1; SMN2 Q16637 7/20 1.00
HPGD P15428 7/20 1.00
NPSR1 Q6W5P4 5/20 1.00
HTT P42858 1/20 1.00
KDM4E B2RXH2 10/20 0.64
HSD17B10 Q99714 5/20 0.64
PKM P14618 5/20 0.64
TP53 P04637 2/20 0.64
ABCB11 O95342 1/20 0.64
MAPT P10636 4/20 0.64
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
GLA P06280 1/20 0.64
NPBWR1 P48145 1/20 0.58
GBA1 P04062 1/20 0.57
CDK1 P06493 1/20 0.57

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
SCHEMBL3170855 1.00 NPC1 (1.00) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL8957840 0.88 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL227743 0.86 NPC1 (0.78) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL12070687 0.85 NPC1 (0.73) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL28460859 0.85 RAB9A (0.73) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL29056665 0.85 NPC1 (0.73) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL31429609 0.85 RAB9A (0.73) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL8957841 0.83 RAB9A (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL4117255 0.83 NPC1 (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5056430 0.82 NPC1 (0.69) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403128-B2 Compositions and methods for blocking sodium channels Univerity of Virginia Patent Foundation (US) 2025-09-02 US disclosed
US-12195432-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2025-01-14 US disclosed
WO-2024137505-A2 METHOD OF IMPROVING CELL FITNESS IN AN EX-VIVO CELL POPULATION TRANQUIS THERAPEUTICS, INC. (US) 2024-06-27 WO disclosed
WO-2022057930-A1 BENZIMIDAZOLE COMPOUND HAVING ENDOTHELIAL LIPASE INHIBITION EFFECT, AND APPLICATION 盐城师范学院 2022-03-24 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 (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-12403128-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NPC1 483/4885RAB9A 2068/4885ALDH1A1 2497/4885
US-12195432-B2 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases PPARG, PPARA, PPARD NPC1 989/4885RAB9A 2214/4885ALDH1A1 1659/4885

“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.