SCHEMBL6494673

SCHEMBL6494673

O=C(NC1CN2CCC1C2)c1ccc(-c2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.64
RAB9A P51151 7/20 0.64
ALDH1A1 P00352 7/20 0.63
POLB P06746 3/20 0.63
CHRNA7 P36544 1/20 0.58
MAPT P10636 7/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPK1 P28482 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
APAF1 O14727 1/20 0.53
PKM P14618 1/20 0.52
THRB P10828 1/20 0.50
PDE4B Q07343 3/20 0.49
MGAM O43451 1/20 0.48

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
SCHEMBL7157923 0.96 ALDH1A1 (0.68) NPC1RAB9AALDH1A1POLBCHRNA7
SCHEMBL7062009 0.87 ALDH1A1 (0.57) NPC1RAB9AALDH1A1POLBCHRNA7
SCHEMBL7219928 0.87 ALDH1A1 (0.57) NPC1RAB9AALDH1A1POLBCHRNA7
SCHEMBL6500280 0.83 CHRNA7 (0.55) ALDH1A1POLBCHRNA7
SCHEMBL7117739 0.82 ALDH1A1 (0.64) NPC1RAB9AALDH1A1POLBCHRNA7
SCHEMBL7127626 0.82 ALDH1A1 (0.64) NPC1RAB9AALDH1A1POLBCHRNA7
Hydrochloric Acid SCHEMBL7157621 0.82 ALDH1A1 (0.63) NPC1RAB9AALDH1A1POLBCHRNA7
Hydrochloric Acid SCHEMBL7198852 0.82 ALDH1A1 (0.63) NPC1RAB9AALDH1A1POLBCHRNA7
Hydrochloric Acid SCHEMBL7060978 0.82 ALDH1A1 (0.63) NPC1RAB9AALDH1A1POLBCHRNA7
SCHEMBL7063808 0.80 NPC1 (0.62) NPC1RAB9AALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 NPC1 224/4885RAB9A 1437/4885ALDH1A1 625/4885

“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.