SCHEMBL331656

SCHEMBL331656

O=c1ccc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
NOS1 P29475 1/20 0.51
ALDH1A1 P00352 3/20 0.47
PARP1 P09874 1/20 0.46
KMT2A Q03164 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
HRH4 Q9H3N8 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR35 Q9HC97 2/20 0.42
TSHR P16473 1/20 0.42
S100A4 P26447 1/20 0.42

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
Methane SCHEMBL27952155 0.98 TDP1 (0.52) TDP1NOS1ALDH1A1PARP1KMT2A
SCHEMBL11256062 0.76 GRIN2D (0.50) TDP1ALDH1A1KMT2AGRIN2DGRIN3B
SCHEMBL18496993 0.75 SIRT2 (0.41) TDP1ALDH1A1PARP1KMT2AGRIN2D
SCHEMBL28549 0.74 ALDH1A1 (0.64) TDP1NOS1ALDH1A1PARP1KMT2A
SCHEMBL29471420 0.74 ALDH1A1 (0.64) TDP1NOS1ALDH1A1PARP1KMT2A
SCHEMBL30265931 0.74 TDP1 (0.52) TDP1NOS1ALDH1A1PARP1KMT2A
SCHEMBL29812003 0.74 TDP1 (0.52) TDP1NOS1ALDH1A1PARP1KMT2A
SCHEMBL1002018 0.74 TDP1 (0.52) TDP1NOS1ALDH1A1PARP1KMT2A
SCHEMBL12778290 0.74 TDP1 (0.52) TDP1NOS1ALDH1A1PARP1KMT2A
SCHEMBL4524595 0.72 ADORA3 (0.52) TDP1NOS1ALDH1A1PARP1KMT2A

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583874-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2025-07-16 EP disclosed
WO-2024132001-A1 MULTITARGET NUCLEAR RECEPTOR LIGANDS BASED ON 2-(4-(QUINOLIN-2-YLOXY)PHENOXY)PROPANOIC ACID AND 2-(4-(QUINOXALIN-2-YLOXY)PHENOXY)PROPANOIC ACID FOR THE TREATMENT OF METABOLIC AND LIVER DISEASES CHARLES UNIVERSITY, FACULTY OF PHARMACY IN HRADEC KRALOVE (CZ) 2024-06-27 WO disclosed
CN-111499622-B Preparation method of medicine for treating bile duct cancer 山东省科学院菏泽分院 2023-06-06 CN disclosed
CN-111499622-A Preparation method of medicine for treating bile duct cancer 山东省科学院菏泽分院 2020-08-07 CN disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 EP disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-9624215-B2 Amine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2017-04-18 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2015-10-22 US disclosed
CN-1225466-C Sodium-hydrogen exchangertype 1 inhibitor (NHE-1) PFIZER PROD INC (US) 2005-11-02 CN disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-16 US disclosed
US-6852733-B2 Sodium-hydrogen exchanger type 1 inhibitor PFIZER INC. (US) 2005-02-08 US disclosed
CN-1426404-A Sodium-hydrogen exchanger type I (NHE-1) inhibitors PFIZER PROD INC (US) 2003-06-25 CN disclosed
EP-1276737-A1 SODIUM-HYDROGEN EXCHANGER TYPE 1 INHIBITOR (NHE-1) Pfizer Products Inc. (US) 2003-01-22 EP disclosed
US-20010051634-A1 Sodium-hydrogen exchanger type 1 inhibitor CHEN WEICHAO G (US) 2001-12-13 US disclosed
WO-2001083470-A1 SODIUM-HYDROGEN EXCHANGER TYPE 1 INHIBITOR (NHE-1) PFIZER PRODUCTS INC. (US) 2001-11-08 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 (6 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-20010051634-A1 Sodium-hydrogen exchanger type 1 inhibitor NHERF1, SLC9A1, SLC9A2 TDP1 834/4885NOS1 264/4885ALDH1A1 838/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES TDP1 2179/4885NOS1 51/4885ALDH1A1 511/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B TDP1 2818/4885NOS1 82/4885ALDH1A1 261/4885
US-20150299189-A1 NOVEL AMINE DERIVATIVE OR SALT THEREOF HRH4, CLIC4, KRT18 TDP1 4236/4885NOS1 64/4885ALDH1A1 1842/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 TDP1 3643/4885NOS1 403/4885ALDH1A1 233/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES TDP1 2179/4885NOS1 51/4885ALDH1A1 511/4885

“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.