SCHEMBL4261648

SCHEMBL4261648

CC[Sn](CC)(CC)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.44
TP53 P04637 4/20 0.44
LMNA P02545 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
PTGS2 P35354 1/20 0.43
PSMB8 P28062 1/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DDAH1 O94760 1/20 0.40
ADRA2C P18825 1/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40

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
SCHEMBL6418155 0.88 ATM (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL2474145 0.83 ATM (0.44) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL2621291 0.71 MAPT (0.70) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL31276462 0.71 MAPT (0.70) NPC1RAB9AMAPTSMN1; SMN2TP53
Bromide SCHEMBL9239377 0.69 MAPT (0.68) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL29531707 0.68 NPC1 (0.69) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL824375 0.68 NPC1 (0.69) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL11769878 0.68 MAPT (0.50) NPC1RAB9AMAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL2147139 0.68 RAB9A (0.66) NPC1RAB9AMAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL2147609 0.68 RAB9A (0.66) NPC1RAB9AMAPTSMN1; SMN2TP53

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
EP-1499616-B1 HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed
US-7417050-B2 Cognition activators; Alzheimer's disease; attention deficit disorders; Parkinson's disease; Huntington's disease; neurodegenerative disease ASTRAZENECA AB (SE) 2008-08-26 US disclosed
US-20050131003-A1 Heterocyclic compounds ASTRAZENECA AB (SE) 2005-06-16 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 (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-20050131003-A1 Heterocyclic compounds AR, MC2R, CYP11B2 NPC1 396/4885RAB9A 1229/4885MAPT 2922/4885

“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.