SCHEMBL535617

SCHEMBL535617

[CH2]Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
TDP1 Q9NUW8 3/20 0.64
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ESR2 Q92731 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL39472 0.82 HPGD (0.78) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL6964418 0.82 GPR35 (0.53) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL8605791 0.80 TDP1 (0.47) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL26509809 0.80 ALDH1A1 (0.67) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL28056476 0.80 L3MBTL1 (0.81) ALDH1A1TDP1NPC1RAB9ARECQL
2-Nitroanisole SCHEMBL17920889 0.79 ALDH1A1 (0.92) ALDH1A1TDP1NPC1RAB9ARECQL
2-Nitroanisole SCHEMBL27551402 0.79 ALDH1A1 (0.92) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL3391996 0.79 ALDH1A1 (0.60) ALDH1A1TDP1NPC1RAB9ARECQL
2-Nitroanisole SCHEMBL186551 0.78 ALDH1A1 (1.00) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL29037112 0.78 ALDH1A1 (0.64) ALDH1A1TDP1NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US claimed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US claimed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US disclosed
CN-101522657-B STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2014-10-15 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8609700-B2 Pyridine compounds for controlling invertebrate pests I BASF SE (DE) 2013-12-17 US disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
US-5326867-A Antibiotics BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-05 US disclosed
WO-1994002463-A1 ANTIHYPERTENSIVE 1,4-DIHYDROPYRIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-03 WO disclosed
EP-0580480-A1 Pradimic acids, amides, and novel pradimicin derivatives Bristol-Myers Squibb Company (US) 1994-01-26 EP disclosed
US-4125622-A ANTITHROMBOSIS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-11-14 US 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 ALDH1A1 4716/4885TDP1 551/4885NPC1 1445/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 ALDH1A1 4724/4885TDP1 567/4885NPC1 1632/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 ALDH1A1 4742/4885TDP1 918/4885NPC1 985/4885

“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.