SCHEMBL16985339

SCHEMBL16985339

Cc1c([N+](=O)[O-])cnn1CC(C)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL16975433 0.88 ALDH1A1 (0.49) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL13634224 0.80 POLB (0.49) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL6154434 0.79 SMN1; SMN2 (0.42) ALDH1A1MAPTHTTSMN1; SMN2ATM
SCHEMBL16985473 0.79 LMNA (0.36) ALDH1A1GAAMAPTLMNAMEN1
SCHEMBL16652870 0.76 MAPK1 (0.49) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL16652868 0.76 MAPK1 (0.49) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL20555539 0.76 MAPK1 (0.49) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL16975306 0.76 ALDH1A1 (0.41) ALDH1A1GAAMAPTCYP1A2CYP2C9
SCHEMBL29173477 0.75 SMN1; SMN2 (0.39) ALDH1A1LMNAHTTSMN1; SMN2ATM
SCHEMBL16975539 0.74 ALDH1A1 (0.43) ALDH1A1GAAMAPTCYP1A2CYP2C9

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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 ALDH1A1 4033/4885GAA 85/4885MAPT 9/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 ALDH1A1 3795/4885GAA 32/4885MAPT 6/4885

“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.