SCHEMBL4595353

SCHEMBL4595353

COc1c([N+](=O)[O-])ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPRT1 P00492 1/20 0.51
TDP1 Q9NUW8 3/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP6 P55212 1/20 0.44
CTSB P07858 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HNF4A P41235 1/20 0.42
CYP3A4 P08684 1/20 0.42
PIN1 Q13526 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL8973926 0.82 ALDH1A1 (0.50) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL15154690 0.81 ALDH1A1 (0.53) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL27338533 0.81 CASP6 (0.54) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL11626358 0.81 ALDH1A1 (0.49) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL5657418 0.78 MAOA (0.49) ALDH1A1TDP1MAPTL3MBTL1LMNA
SCHEMBL28288279 0.78 ALDH1A1 (0.49) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL18162301 0.78 PIN1 (0.51) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL5941164 0.77 ALDH1A1 (0.60) ALDH1A1HPRT1TDP1TSHRMAPT
SCHEMBL29097580 0.76 NPC1 (0.52) ALDH1A1HPRT1MAPTL3MBTL1HPGD
SCHEMBL20897727 0.76 PDE10A (0.61) ALDH1A1TDP1TSHRMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590558-A Method for catalyzing selective nitration of 1-methoxynaphthalene by using zeolite molecular sieve 蚌埠学院 2019-12-20 CN claimed
CN-110590558-A Method for catalyzing selective nitration of 1-methoxynaphthalene by using zeolite molecular sieve 蚌埠学院 2019-12-20 CN disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-16 US disclosed
EP-1937243-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-07-02 EP disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
WO-2007045593-A2 NAPHTHYL DERIVATIVES AS INHIBITORS OF BETA-AMYLOID AGGREGATION SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-26 WO disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 EP 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 (3 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 ALDH1A1 1952/4885HPRT1 2022/4885TDP1 366/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 ALDH1A1 1952/4885HPRT1 2022/4885TDP1 366/4885
US-20080255232-A1 Naphthyl Derivatives as Inhibitors of Beta-Amyloid Aggregation APP, BACE1, SNCA ALDH1A1 1775/4885HPRT1 1579/4885TDP1 526/4885

“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.