SCHEMBL11213610

SCHEMBL11213610

CCC(=O)c1cc([N+](=O)[O-])cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MIF P14174 1/20 0.40
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GALR3 O60755 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37

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
SCHEMBL2789975 0.80 MAPT (0.48) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL2992084 0.79 NPC1 (0.51) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL1847472 0.78 DAO (0.48) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL8634167 0.77 MIF (0.46) KMT2AMEN1RAB9AALDH1A1NPSR1
Hydrochloric Acid SCHEMBL8634171 0.77 DAO (0.47) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL28263654 0.77 SMN1; SMN2 (0.50) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL6694136 0.76 ALDH1A1 (0.56) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL18430372 0.76 MIF (0.40) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL1844829 0.76 MIF (0.43) KMT2AMEN1RAB9AALDH1A1NPSR1
SCHEMBL11212849 0.73 MIF (0.39) KMT2AMEN1RAB9AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10655091-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2020-05-19 US disclosed
US-20190345415-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2019-11-14 US disclosed
US-10435651-B2 Thiophene azo dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2019-10-08 US disclosed
US-20180066215-A1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME PROCTER & GAMBLE (US) 2018-03-08 US disclosed
US-9752104-B2 Thiophene AZO carboxylate dyes and laundry care compositions containing the same THE PROCTER & GAMBLE COMPANY (US) 2017-09-05 US disclosed
US-9567465-B2 Thiophene azo carboxylate dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-02-14 US disclosed
US-9556337-B2 Thiophene azo dyes and laundry care compositions containing the same MILLIKEN & COMPANY (US) 2017-01-31 US disclosed
EP-1697354-B1 ISOTHIAZOLE DIOXIDES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2013-08-07 EP disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands SCHERING CORPORATION (US) 2011-09-01 US disclosed
US-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2008-04-17 US disclosed
US-7338968-B2 Thiadiazoles AS CXC- and CC- chemokine receptor ligands SCHERING CORPORATION (US) 2008-03-04 US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
EP-0020173-B1 IMIDAZOLE GUANIDINES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-02-09 EP disclosed
EP-0020173-A1 Imidazole guanidines, their preparation and compositions containing them MERCK & CO. INC. (US) 1980-12-10 EP disclosed
US-4220654-A Cyclic imidazole cyanoguanidines MERCK & CO., INC. (US) 1980-09-02 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 (4 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-20080090823-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS CCR2, ACKR3, CX3CR1 KMT2A 4785/4885MEN1 4674/4885RAB9A 2086/4885
US-20110213029-A1 3,4-Di-Substituted Cyclobutene-1,2-Diones as CXC-Chemokine Receptor Ligands CCR1, ACKR3, CXCR1 KMT2A 4745/4885MEN1 4186/4885RAB9A 2851/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 KMT2A 4745/4885MEN1 4186/4885RAB9A 2851/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 KMT2A 4816/4885MEN1 4707/4885RAB9A 2122/4885

“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.