SCHEMBL2628065

SCHEMBL2628065

NC(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GRM8 O00222 2/20 0.51
GRM6 O15303 2/20 0.51
GRM4 Q14833 2/20 0.51
TSHR P16473 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
ALDH1A1 P00352 4/20 0.49
CES1 P23141 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
CES2 O00748 1/20 0.47
SRD5A2 P31213 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL11840312 0.83 TSHR (0.48) TDP1GRM8GRM6GRM4TSHR
SCHEMBL6830994 0.81 GRM8 (0.49) TDP1GRM8GRM6GRM4TSHR
SCHEMBL4481419 0.81 CES1 (0.57) TDP1TSHRALDH1A1CES1MEN1
SCHEMBL13527786 0.81 HSD17B10 (0.61) TDP1GRM8GRM6GRM4ALDH1A1
SCHEMBL28366694 0.80 SLC1A3 (0.52) TDP1GRM8GRM6GRM4TSHR
SCHEMBL28362941 0.80 SLC1A3 (0.52) TDP1GRM8GRM6GRM4TSHR
SCHEMBL5287291 0.80 SLC1A3 (0.52) TDP1GRM8GRM6GRM4TSHR
SCHEMBL28362981 0.80 SLC1A3 (0.52) TDP1GRM8GRM6GRM4TSHR
SCHEMBL21176781 0.80 SLC1A3 (0.52) TDP1GRM8GRM6GRM4TSHR
SCHEMBL18277713 0.80 SLC1A3 (0.52) TDP1GRM8GRM6GRM4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012167261-A2 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING NEOINTIMAL STENOSIS YALE UNIVERSITY (US) 2012-12-06 WO claimed
CN-118561844-A Cross-linked organic electronic transmission layer material and application thereof 天合光能股份有限公司 2024-08-30 CN disclosed
US-20170172957-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. 2017-06-22 US disclosed
EP-2714029-B1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN INC (US) 2017-04-12 EP disclosed
EP-2820021-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-11-30 EP disclosed
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-9415031-B2 D-serine transporter inhibitors as pharmaceutical compositions for the treatment of visual system disorders ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 US disclosed
EP-2820021-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK Chemicals Co., Ltd. (KR) 2015-01-07 EP disclosed
CN-104136441-A Gonadotropin-releasing hormone receptor antagonists, process for their preparation and pharmaceutical compositions comprising them SK CHEMICALS CO LTD 2014-11-05 CN disclosed
US-20120329851-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLERGAN, INC. 2012-12-27 US disclosed
US-20120302621-A1 D-SERINE TRANSPORTER INHIBITORS AS PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VISUAL SYSTEM DISORDERS ALLERGAN, INC. 2012-11-29 US disclosed
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed
WO-2010117977-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
US-20090110640-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY CONSISTING OF A CYCLIC OLIGOAMID CORE OF 3 TO 4 IDENTICIAL MONOMER UNITS WITH 3 TO 4 PARAMAGNETIC CHELATE SIDE CHAINS AXELSSON OSKAR 2009-04-30 US disclosed
US-20090110640-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY CONSISTING OF A CYCLIC OLIGOAMID CORE OF 3 TO 4 IDENTICIAL MONOMER UNITS WITH 3 TO 4 PARAMAGNETIC CHELATE SIDE CHAINS AXELSSON OSKAR 2009-04-30 US disclosed
WO-2007111514-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY CONSISTING OF A CYCLIC OLIGOAMID CORE OF 3 TO 4 IDENTICAL MONOMER UNITS WITH 3 TO 4 PARAMAGNETIC CHELATE SIDE CHAINS GE HEALTHCARE AS (NO) 2007-10-04 WO disclosed
WO-2003059926-A2 METHODS AND COMPOSITIONS FOR AMINOACYL-tRNA SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2003-07-24 WO disclosed
US-5804595-A ANTIINFLAMMATORY AGENT TO TREAT PAIN CAUSED BY RHEUMATOID ARTHRITIS AND LAPAROSCOPIC SURGERY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-09-08 US disclosed
WO-1997020831-A1 KAPPA OPIOID RECEPTOR AGONISTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-06-12 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 (2 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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR TDP1 3785/4885GRM8 166/4885GRM6 249/4885
US-20090110640-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY CONSISTING OF A CYCLIC OLIGOAMID CORE OF 3 TO 4 IDENTICIAL MONOMER UNITS WITH 3 TO 4 PARAMAGNETIC CHELATE SIDE CHAINS MLX, PAM, LPXN TDP1 3535/4885GRM8 1319/4885GRM6 627/4885

“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.