SCHEMBL5250295

SCHEMBL5250295

O=[N+]([O-])CCc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 1/20 0.47
MTNR1A P48039 2/20 0.46
NQO2 P16083 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP3A4 P08684 1/20 0.45
POLB P06746 1/20 0.44
CNR1 P21554 1/20 0.43
EGFR P00533 1/20 0.43
DAO P14920 1/20 0.43
RXRA P19793 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
SCHEMBL1171268 0.81 ALDH1A1 (0.52) ACP3ALDH1A1CYP1A2CYP2C19CYP2D6
Nitric Acid SCHEMBL9872877 0.79 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C19MTNR1A
SCHEMBL8957420 0.77 NQO2 (0.46) ACP3ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL3047898 0.77 CYP1A2 (0.62) ACP3ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL14714873 0.77 HTR2A (0.60) MTNR1ANQO2
SCHEMBL28249204 0.77 CYP3A4 (0.51) ALDH1A1CYP1A2CYP2C19CYP2D6TDP1
SCHEMBL28344036 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP2D6CYP3A4
SCHEMBL11523496 0.75 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19CYP2D6TDP1
SCHEMBL28749492 0.75 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C19CYP3A4POLB
SCHEMBL3230471 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C19CYP2D6CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113711007-A Method for determining generation source of fine particles in atmosphere 株式会社岛津制作所 2021-11-26 CN claimed
CN-113711007-A Method for determining generation source of fine particles in atmosphere 株式会社岛津制作所 2021-11-26 CN disclosed
CN-111087957-A Adhesive composition, cured product, optical member, touch panel, liquid crystal sealing agent, and liquid crystal display unit 日本化药株式会社 2020-05-01 CN disclosed
CN-106243052-B Substituted heterocyclic compounds, process for their preparation and their use 广东东阳光药业有限公司 2020-01-21 CN disclosed
CN-105579112-B The gas absorbent solution and technique of reversible optical drive 联邦科学及工业研究组织 2018-11-02 CN disclosed
CN-106243052-A Substituted heterocyclic compound and its production and use 广东东阳光药业有限公司 2016-12-21 CN disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
CN-1022319-C 1, 2, 3, 4-tetrahydronaphthalene derivatives, process for their preparation and their use as medicaments MERRELL DOW PHARMA (US) 1993-10-06 CN disclosed
EP-0378456-B1 TETRALIN DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-15 EP disclosed
US-5106861-A Method of using certain tetralin derivatives to produce analgesic relief MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-21 US disclosed
US-5041673-A Aminopeptidase inhibitors, immunomodulators, analgesics MERRELL DOW PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed
EP-0381902-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-08-16 EP disclosed
CN-1044460-A Novel 1,2,3,4-tetralin derivative MERRELL DOW PHARMA (US) 1990-08-08 CN disclosed
EP-0378456-A1 Tetralin derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-18 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 (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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B ACP3 2593/4885ALDH1A1 871/4885CYP1A2 665/4885

“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.