SCHEMBL16985307

SCHEMBL16985307

Cc1c([N+](=O)[O-])cnn1C1CCCOC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE1B Q01064 3/20 0.34
PDE1A P54750 2/20 0.34
PDE1C Q14123 2/20 0.34
KMT2A Q03164 3/20 0.33
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE9A O76083 1/20 0.32
CNR2 P34972 1/20 0.32
MEN1 O00255 2/20 0.32
TXNRD1 Q16881 1/20 0.32
LRRK2 Q5S007 3/20 0.32
FLT3 P36888 2/20 0.32

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
SCHEMBL31121565 0.96 PDE1B (0.36) JAK1JAK2ALDH1A1CYP1A2MAPT
SCHEMBL31121567 0.91 PDE1C (0.41) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL4561596 0.86 PKM (0.38) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL20555375 0.85 PDE1C (0.42) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL26121604 0.84 PKM (0.38) ALDH1A1CYP1A2MAPTCYP2C19PDE1C
SCHEMBL16985445 0.82 KAT2B (0.42) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL21850278 0.82 KAT2B (0.42) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL16985423 0.82 KAT2B (0.42) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL23275100 0.81 PKM (0.40) ALDH1A1CYP2C9KMT2APKMPOLB
SCHEMBL16985380 0.79 ALDH1A1 (0.35) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19

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
CN-117425660-A Aromatic heterocyclic compound, intermediate thereof, pharmaceutical composition and application 上海翊石医药科技有限公司 2024-01-19 CN disclosed
WO-2023222005-A1 AROMATIC HETEROCYCLIC COMPOUND AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海翊石医药科技有限公司 2023-11-23 WO 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 (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-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 JAK1 2968/4885JAK2 3076/4885ALDH1A1 3795/4885

“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.