SCHEMBL9809141

SCHEMBL9809141

NCCNc1ccc(N)cc1S(=O)(=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
APEX1 P27695 1/20 0.42
APOBEC3A P31941 1/20 0.42
RECQL P46063 1/20 0.42
CASP6 P55212 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 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
SCHEMBL14988898 0.84 TOP2B (0.46) CCR2L3MBTL1ALDH1A1KDM4ENSD2
Monoethanolamine SCHEMBL14989152 0.84 ALDH1A1 (0.40) CCR2L3MBTL1ALDH1A1KDM4ENSD2
SCHEMBL10603180 0.81 ALDH1A1 (0.58) ALDH1A1POLBGAAMAPTTSHR
SCHEMBL9878790 0.78 CA2 (0.41) L3MBTL1ALDH1A1KDM4ENSD2POLB
SCHEMBL9809133 0.77 APEX1 (0.42) L3MBTL1ALDH1A1KDM4ENSD2POLB
SCHEMBL10600156 0.77 CCR2 (0.41) CCR2L3MBTL1ALDH1A1KDM4ENSD2
SCHEMBL8164203 0.77 RAPGEF4 (0.58) L3MBTL1ALDH1A1KDM4ENSD2POLB
SCHEMBL10692797 0.77 RAPGEF4 (0.41) L3MBTL1ALDH1A1KDM4ENSD2POLB
SCHEMBL3653053 0.76 TSHR (0.47) CCR2L3MBTL1ALDH1A1KDM4ENSD2
SCHEMBL9877842 0.75 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4ENSD2POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589020-B1 NOVEL COMPOUNDS CAPABLE OF FORMING PHOTOCONVERTIBLE ORGANIC THIN FILMS AND ARTICLES HAVING ORGANIC THIN FILMS NIPPON SODA CO (JP) 2013-06-05 EP claimed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
EP-1589020-B1 NOVEL COMPOUNDS CAPABLE OF FORMING PHOTOCONVERTIBLE ORGANIC THIN FILMS AND ARTICLES HAVING ORGANIC THIN FILMS NIPPON SODA CO (JP) 2013-06-05 EP disclosed
EP-0199056-B1 PROCESS FOR THE MANUFACTURE OF TRIPHENODIOXAZINES BAYER AG (DE) 1991-05-22 EP disclosed
EP-0199036-B1 TRIPHENEDIOXAZINE DYES BAYER AG (DE) 1989-01-25 EP disclosed
US-4665179-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1987-05-12 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 (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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR CCR2 4415/4885L3MBTL1 4874/4885ALDH1A1 440/4885

“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.