SCHEMBL6553158

SCHEMBL6553158

O=[N+]([O-])c1ccccc1[N+](=O)[O-].[Na]

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
TDP1 Q9NUW8 5/20 0.62
GPR35 Q9HC97 2/20 0.59
ALDH1A1 P00352 8/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
TSHR P16473 3/20 0.56
NPC1 O15118 1/20 0.54
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP7 P55210 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HPGD P15428 1/20 0.50
PLAU P00749 1/20 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
SCHEMBL16355165 0.97 HSD17B10 (0.67) HSD17B10TDP1GPR35ALDH1A1KMT2A
SCHEMBL22566 0.97 HSD17B10 (0.67) HSD17B10TDP1GPR35ALDH1A1KMT2A
SCHEMBL29577518 0.97 HSD17B10 (0.67) HSD17B10TDP1GPR35ALDH1A1KMT2A
Hydrogen Sulfide SCHEMBL28883138 0.94 HSD17B10 (0.64) HSD17B10TDP1GPR35ALDH1A1KMT2A
SCHEMBL6553154 0.94 HSD17B10 (0.64) HSD17B10TDP1GPR35ALDH1A1KMT2A
SCHEMBL6553157 0.94 HSD17B10 (0.64) HSD17B10TDP1GPR35ALDH1A1KMT2A
SCHEMBL27813528 0.94 HSD17B10 (0.64) HSD17B10TDP1GPR35ALDH1A1KMT2A
Fluoride SCHEMBL11797732 0.94 HSD17B10 (0.64) HSD17B10TDP1GPR35ALDH1A1KMT2A
Ammonia Solution, Strong SCHEMBL11649737 0.94 HSD17B10 (0.64) HSD17B10TDP1GPR35ALDH1A1KMT2A
Fluoride SCHEMBL27513971 0.94 HSD17B10 (0.64) HSD17B10TDP1GPR35ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103409177-A Methanol fuel oil for ships and preparation method thereof HU RONGHAN 2013-11-27 CN claimed
CN-106928071-A A kind of method that selective catalytic hydrogenation reduction prepares the nitrophenol of 2 amino 4 九江善水科技股份有限公司 2017-07-07 CN disclosed
CN-106928071-A A kind of method that selective catalytic hydrogenation reduction prepares the nitrophenol of 2 amino 4 九江善水科技股份有限公司 2017-07-07 CN disclosed
CN-103409177-A Methanol fuel oil for ships and preparation method thereof HU RONGHAN 2013-11-27 CN disclosed
CN-102459093-A Subcritical partial oxidation for treating nitration waste NORAM INT LTD 2012-05-16 CN disclosed
CN-102174272-A Preparation method and product of sulphur black dye ZHEJIANG CHANGZHENG CHEMICAL CO LTD 2011-09-07 CN disclosed
EP-0954336-B1 MEMBRANE INCORPORATION OF TEXAPHYRINS PHARMACYCLICS INC (US) 2004-02-25 EP disclosed
US-6375930-B2 PARAMAGNETISM, PHOTOSENSITIVITY; IMAGING, DIAGNOSIS, DRUG DELIVERY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-04-23 US disclosed
US-20020006378-A1 MEMBRANE INCORPORATION OF TEXAPHYRINS PHARMACYCLICS, INC. 2002-01-17 US disclosed
EP-0954336-A2 MEMBRANE INCORPORATION OF TEXAPHYRINS PHARMACYCLICS, INC. (US) 1999-11-10 EP disclosed
CN-1225591-A Membrane binding of texaphyrins PHARMACYCLICS INC (US) 1999-08-11 CN disclosed
WO-1997046262-A2 MEMBRANE INCORPORATION OF TEXAPHYRINS PHARMACYCLICS, INC. (US) 1997-12-11 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 (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-20020006378-A1 MEMBRANE INCORPORATION OF TEXAPHYRINS CD47, PHOSPHO1, TEX13A HSD17B10 4348/4885TDP1 560/4885GPR35 3398/4885

“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.