SCHEMBL2215028

SCHEMBL2215028

O=C1c2ccccc2CCC1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
CES1 P23141 1/20 0.42
ACHE P22303 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTR1A P08908 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL6280899 0.82 ACHE (0.52) CYP19A1ACHEKDM4EALDH1A1MAPT
SCHEMBL2115194 0.78 IDO1 (0.44) KDM4EALDH1A1SIGMAR1RAB9A
SCHEMBL30150914 0.78 IDO1 (0.44) KDM4EALDH1A1SIGMAR1RAB9A
SCHEMBL13039620 0.74 DRD2 (0.56) CYP19A1CES1ACHESIGMAR1DRD2
SCHEMBL5657816 0.73 CYP2A6 (0.44) CYP19A1CES1ACHEALDH1A1MAPT
SCHEMBL28706621 0.73 CYP19A1 (0.44) CYP19A1CES1ACHEKDM4EALDH1A1
SCHEMBL29446599 0.73 CYP19A1 (0.44) CYP19A1CES1ACHEKDM4EALDH1A1
SCHEMBL1094690 0.72 CYP19A1 (0.53) CYP19A1CES1ACHEKDM4EALDH1A1
SCHEMBL11819054 0.72 CYP19A1 (0.53) CYP19A1CES1ACHEKDM4EALDH1A1
SCHEMBL1332811 0.72 CYP19A1 (0.53) CYP19A1CES1ACHEKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117142938-A Method for preparing 1, 4-naphthoquinone compound by selectively oxidizing aromatic ketone 大连理工大学 2023-12-01 CN disclosed
EP-1369412-B1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER MATERIALSCIENCE AG (DE) 2011-07-27 EP disclosed
WO-2010042475-A1 SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS SCHERING CORPORATION (US) 2010-04-15 WO disclosed
EP-1369412-A1 Process for the preparation of 5-nitro-3,4-dihydro-1(2H)-naphthalenone, 1,5-naphthalendiamine and 1,5-naphthalendiisocyanate BAYER AG (DE) 2003-12-10 EP disclosed
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed
US-4569689-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-02-11 US disclosed
EP-0129192-A1 Aniline derivatives, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1984-12-27 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A CYP19A1 2171/4885CES1 101/4885ACHE 685/4885

“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.