SCHEMBL2170995

SCHEMBL2170995

[O]C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.75
CES1 P23141 1/20 0.75
TP53 P04637 1/20 0.72
ALDH1A1 P00352 5/20 0.70
TSHR P16473 4/20 0.70
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
LMNA P02545 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
KDM4E B2RXH2 1/20 0.58
ALOX15 P16050 1/20 0.57
MAPT P10636 4/20 0.56
POLB P06746 2/20 0.56
BLM P54132 1/20 0.56
HTT P42858 2/20 0.55
RAB9A P51151 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL181572 0.86 CES2 (0.78) CES2CES1TP53ALDH1A1TSHR
SCHEMBL2156825 0.86 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL31374765 0.86 CES1 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL8962468 0.84 CES2 (0.75) CES2CES1TP53ALDH1A1TSHR
SCHEMBL29490968 0.84 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL27709081 0.84 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL132618 0.84 TP53 (1.00) CES2CES1TP53ALDH1A1TSHR
SCHEMBL4092998 0.83 CES2 (0.74) CES2CES1TP53ALDH1A1TSHR
Bicarbonate SCHEMBL27282989 0.83 TP53 (0.71) CES2CES1TP53ALDH1A1TSHR
Benzene SCHEMBL28121215 0.83 TP53 (0.71) CES2CES1TP53ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP claimed
US-20160185743-A1 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-30 US claimed
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
EP-0249999-A2 Triazolyl ethyl ethers and fungicides containing them BASF Aktiengesellschaft (DE) 1987-12-23 EP claimed
CN-111479801-A Compound and method for producing compound 富士胶片株式会社 2020-07-31 CN disclosed
EP-2697206-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF IN THE TREATMENT OF SEXUAL DISORDERS ATIR HOLDING S A (LU) 2019-04-03 EP disclosed
US-10112918-B2 15-oxospiramilactone derivatives, preparation method and uses thereof KUNMING INSTITUTE OF BOTANY, THE CHINESE ACADEMY OF SCIENCES (CN) 2018-10-30 US disclosed
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis LIPOSCIENCES, LLC (US) 2018-07-17 US disclosed
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE PETERSEN SCOTT G (US) 2017-08-10 US disclosed
EP-3067359-A1 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Petersen, Scott G. (US) 2016-09-14 EP disclosed
US-20160185743-A1 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2016-06-30 US disclosed
US-20030004331-A1 Method for purifying 5' -protected thymidines and novel derivatives thereof MITSUI CHEMICALS, INC. (JP) 2003-01-02 US disclosed
EP-1258489-A1 Method for purifying 5'-protected thymidines Mitsui Chemicals, Inc. (JP) 2002-11-20 EP disclosed
US-6020426-A BLOCK OR GRAFT COPOLYMER FUJI XEROX CO., LTD. (JP) 2000-02-01 US disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0249999-A2 Triazolyl ethyl ethers and fungicides containing them BASF Aktiengesellschaft (DE) 1987-12-23 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
US-4239851-A DISSOLVING AN OIL SOLUBLE ADDITIVE IN AN EPOXY COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1980-12-16 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 (6 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-20030004331-A1 Method for purifying 5' -protected thymidines and novel derivatives thereof TYMP, TYMS, DUT CES2 2859/4885CES1 2837/4885TP53 569/4885
US-20160185743-A1 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof WNT1, WNT3, WNT3A CES2 4376/4885CES1 1055/4885TP53 835/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CES2 1061/4885CES1 1114/4885TP53 3829/4885
US-10022454-B2 Functionalized phosphorodiamites for therapeutic oligonucleotide synthesis NCL, PHOSPHO1, POLN CES2 4245/4885CES1 3750/4885TP53 1169/4885
US-10112918-B2 15-oxospiramilactone derivatives, preparation method and uses thereof WNT1, WNT3, WNT3A CES2 4376/4885CES1 1055/4885TP53 835/4885
US-20170224832-A9 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE POLN, SARNP, NCL CES2 3708/4885CES1 3899/4885TP53 433/4885

“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.