SCHEMBL2384129

SCHEMBL2384129

O=C(O)c1cc(N=Nc2cccc([N+](=O)[O-])c2)ccc1O.[Na+]

nearest known ligand 0.75

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 1/20 0.62
THRB known ✓ P10828 1/20 0.56
PTGS1 known ✓ P23219 1/20 0.53
PTGS2 known ✓ P35354 1/20 0.53
ALDH1A1 P00352 6/20 0.75
TDP1 Q9NUW8 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
BLVRB P30043 1/20 0.62
KDR P35968 1/20 0.62
HTT P42858 1/20 0.62
GLO1 Q04760 2/20 0.56
BLM P54132 2/20 0.56
APP P05067 1/20 0.56
RECQL P46063 1/20 0.56
PHLPP2 Q6ZVD8 3/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 4/20 0.50

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
SCHEMBL29481568 0.99 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL4051923 0.99 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL4047509 0.99 ALDH1A1 (0.77) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2384120 0.97 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2384124 0.97 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL925266 0.89 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL2384122 0.89 ALDH1A1 (0.59) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL7033984 0.87 TDP1 (0.97) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL29391739 0.86 ALDH1A1 (0.56) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A
SCHEMBL133646 0.86 TDP1 (1.00) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026021-B2 Film forming material and preparation of surface relief and optically anisotropic structures by irradiating a film of the said material Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-09-27 US disclosed
WO-2010021512-A2 SILICA-BASED FLUORESCENT NANOPARTICLES SNU R&DB FOUNDATION (KR) 2010-02-25 WO disclosed
US-20100047859-A1 SILICA-BASED FLUORESCENT NANOPARTICLES SNU R&DB FOUNDATION (KR) 2010-02-25 US disclosed
US-20090001632-A1 Film Forming Material and Preparation of Surface Relief and Optically Anisotropic Structures by Irradiating a Film of the Said Material FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2009-01-01 US disclosed
EP-1794236-B1 FILM FORMING MATERIAL AND PREPARATION OF SURFACE RELIEF AND OPTICALLY ANISOTROPIC STRUCTURES BY IRRADIATING A FILM OF THE SAID MATERIAL FRAUNHOFER GES FORSCHUNG (DE) 2008-12-31 EP disclosed
EP-1794236-A1 FILM FORMING MATERIAL AND PREPARATION OF SURFACE RELIEF AND OPTICALLY ANISOTROPIC STRUCTURES BY IRRADIATING A FILM OF THE SAID MATERIAL Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2007-06-13 EP disclosed
WO-2006024500-A1 FILM FORMING MATERIAL AND PREPARATION OF SURFACE RELIEF AND OPTICALLY ANISOTROPIC STRUCTURES BY IRRADIATING A FILM OF THE SAID MATERIAL FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2006-03-09 WO disclosed
EP-1632520-A1 Film forming material and preparation of surface relief and optically anisotropic structures by irradiating a film of the said material Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2006-03-08 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-20100047859-A1 SILICA-BASED FLUORESCENT NANOPARTICLES NOXO1, NOX3, SOS1 PDE4A 4875/4885THRB 4259/4885PTGS1 3869/4885

“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.