SCHEMBL16985273

SCHEMBL16985273

Cc1c([N+](=O)[O-])cnn1CCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 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
SCHEMBL16975578 0.90 ALDH1A1 (0.41) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL15171010 0.85 POLB (0.47) ALDH1A1LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL16975314 0.83 SMN1; SMN2 (0.39) ALDH1A1LMNATHRBTSHRMAPK1
SCHEMBL16975408 0.83 MAPK1 (0.46) ALDH1A1MAPK1SMN1; SMN2POLBL3MBTL1
SCHEMBL16975575 0.81 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL17610315 0.81 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL9284026 0.81 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL27936843 0.81 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2POLBL3MBTL1MEN1
SCHEMBL21821472 0.80 SMN1; SMN2 (0.38) ALDH1A1LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL8921624 0.80 MEN1 (0.40) ALDH1A1LMNATHRBTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 US disclosed
CN-105940004-B Compound 葛兰素史密斯克莱知识产权发展有限公司 2018-02-02 CN 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 (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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 ALDH1A1 4033/4885LMNA 1157/4885THRB 3848/4885
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT ALDH1A1 3433/4885LMNA 410/4885THRB 1554/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA ALDH1A1 3312/4885LMNA 429/4885THRB 1608/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT ALDH1A1 3433/4885LMNA 410/4885THRB 1554/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 ALDH1A1 3795/4885LMNA 802/4885THRB 4307/4885

“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.