SCHEMBL879403

SCHEMBL879403

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
CES1 P23141 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 4/20 0.56
PKM P14618 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 3/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
GSK3B P49841 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 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
SCHEMBL254773 0.83 CES1 (0.65) ALDH1A1CES1CA1CA2TDP1
SCHEMBL1436249 0.83 CES1 (0.65) ALDH1A1CES1CA1CA2TDP1
SCHEMBL248294 0.82 TSHR (0.64) ALDH1A1CES1CA1CA2TDP1
SCHEMBL4399328 0.81 ALDH1A1 (0.63) ALDH1A1CES1CA1CA2TDP1
SCHEMBL15082296 0.81 CES1 (0.68) ALDH1A1CES1CA1CA2TDP1
SCHEMBL23037596 0.80 CES1 (0.61) ALDH1A1CES1CA1CA2TDP1
SCHEMBL514703 0.80 CES1 (0.61) ALDH1A1CES1CA1CA2TDP1
SCHEMBL306161 0.80 POLB (0.81) ALDH1A1CES1CA1CA2TDP1
SCHEMBL11455797 0.80 CES1 (0.61) ALDH1A1CES1CA1CA2TDP1
SCHEMBL402230 0.80 TSHR (0.62) ALDH1A1CES1CA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3114136-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES Stealth BioTherapeutics Corp (MC) 2017-01-11 EP claimed
EP-3087093-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES Stealth Biotherapeutics Corp (MC) 2016-11-02 EP claimed
WO-2015134096-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2015-09-11 WO claimed
WO-2015100376-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2015-07-02 WO claimed
EP-2240447-A2 MORPHOLINE DERIVATES AS ANTIOBESITY AGENTS AstraZeneca AB (Publ) (SE) 2010-10-20 EP claimed
EP-2234992-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-10-06 EP claimed
EP-2229362-A1 PIPERAZINES AS ANTI-OBESITY AGENTS AstraZeneca AB (SE) 2010-09-22 EP claimed
EP-2227461-A1 NEW COMPOUNDS III AstraZeneca AB (Publ) (SE) 2010-09-15 EP claimed
WO-2010008826-A1 MODULAR MONOLAYER COATINGS FOR SELECTIVE ATTACHMENT OF NANOPARTICLES TO BIOMOLECULES PRINCETON UNIVERSITY (US) 2010-01-21 WO claimed
WO-2009071678-A2 MORPHOLINE DERIVATIVES AS ANTIOBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
WO-2009071677-A1 NEW COMPOUNDS III BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
WO-2009071658-A1 PIPERAZINES AS ANTI-OBESITY AGENTS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
WO-2009071668-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS LEPTIN RECEPTOR MODULATORS BIOVITRUM AB (PUBL) (SE) 2009-06-11 WO claimed
US-11820863-B2 Fluorosurfactants SPHERE FLUIDICS LIMITED (GB) 2023-11-21 US disclosed
US-20230165892-A1 POLYMER-CONJUGATED METAP2 INHIBITORS, AND THERAPEUTIC METHODS OF USE THEREOF SYNDEVRX, INC. (US) 2023-06-01 US disclosed
EP-3986477-A1 CONJUGATES OF pi-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS Ascendis Pharma A/S (DK) 2022-04-27 EP disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed
WO-1998019710-A2 DELIVERY OF NUCLEIC ACID MATERIAL TO TARGET CELLS IN BIOLOGICAL SYSTEMS SCHACHT ETIENNE HONORE (BE) 1998-05-14 WO disclosed
WO-1998018754-A1 METHODS FOR SOLID-PHASE SYNTHESIS OF HYDROXYLAMINE COMPOUNDS AND DERIVATIVES, AND COMBINATORIAL LIBRARIES THEREOF VERSICOR, INC. (US) 1998-05-07 WO disclosed
EP-0375395-A2 Derivatives of 3'-and 3\"-0-desmethyl avermectin compounds MERCK & CO. INC. (US) 1990-06-27 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-20230165892-A1 POLYMER-CONJUGATED METAP2 INHIBITORS, AND THERAPEUTIC METHODS OF USE THEREOF METAP2, MTX2, METAP1 ALDH1A1 4179/4885CES1 887/4885CA1 3374/4885

“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.