SCHEMBL666103

SCHEMBL666103

NC(CO)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 4/20 0.53
GRM4 Q14833 4/20 0.53
GRM6 O15303 3/20 0.52
TSHR P16473 4/20 0.52
LMNA P02545 1/20 0.52
ACP3 P15309 1/20 0.51
KMO O15229 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ALDH1A1 P00352 4/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL31226322 1.00 GRM8 (0.53) GRM8GRM4GRM6TSHRLMNA
SCHEMBL9299523 0.87 GRM8 (0.51) GRM8GRM4GRM6TSHRLMNA
SCHEMBL4703596 0.85 TSHR (0.53) GRM8GRM4GRM6TSHRLMNA
SCHEMBL16809247 0.83 TSHR (0.52) GRM8GRM4GRM6TSHRLMNA
SCHEMBL9298304 0.83 KMT2A (0.53) GRM8GRM4GRM6TSHRLMNA
SCHEMBL3859569 0.83 KMO (0.55) GRM8GRM4GRM6TSHRLMNA
SCHEMBL3310878 0.83 KMO (0.55) GRM8GRM4GRM6TSHRLMNA
SCHEMBL16293830 0.83 KMO (0.55) GRM8GRM4GRM6TSHRLMNA
SCHEMBL666885 0.83 KMO (0.55) GRM8GRM4GRM6TSHRLMNA
SCHEMBL9263216 0.83 TSHR (0.51) GRM8GRM4GRM6TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed
CN-102317269-B Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2015-06-17 CN disclosed
US-9040560-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
EP-2396307-B1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES MERCK PATENT GMBH (DE) 2014-10-15 EP disclosed
US-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2014-04-17 US disclosed
US-8637532-B2 Amino azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-01-28 US disclosed
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2012-02-23 US disclosed
CN-102317269-A Novel amino aza heterocyclic carboxamides MERCK PATENT GMBH 2012-01-11 CN disclosed
EP-2396307-A1 NOVEL AMINO AZAHETEROCYCLIC CARBOXAMIDES Merck Patent GmbH (DE) 2011-12-21 EP disclosed
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
CN-1444572-A 2-aminothiazoline derivatives and their use as no-synthase inhibitors AVENTIS PHARMA SA (FR) 2003-09-24 CN disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 US disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 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 (5 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-20140107156-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC GRM8 4115/4885GRM4 4236/4885GRM6 3318/4885
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 GRM8 3750/4885GRM4 2884/4885GRM6 2942/4885
US-20120046269-A1 Novel Amino Azaheterocyclic Carboxamides AZI2, MKI67, MYC GRM8 4115/4885GRM4 4236/4885GRM6 3318/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 GRM8 3820/4885GRM4 2974/4885GRM6 3021/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 GRM8 3539/4885GRM4 2823/4885GRM6 3044/4885

“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.