SCHEMBL196418

SCHEMBL196418

CCCCCCCCCCCCCCCCCCCCNS(=O)(=O)c1cc(Br)ccc1Br

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.69
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.49
TSHR P16473 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.47
EDNRB P24530 2/20 0.45

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
SCHEMBL198379 1.00 RECQL (0.69) RECQLALDH1A1MEN1TSHRKMT2A
SCHEMBL9577176 0.81 RECQL (0.67) RECQLALDH1A1MEN1TSHRKMT2A
SCHEMBL9577082 0.81 RECQL (0.67) RECQLALDH1A1MEN1TSHRKMT2A
SCHEMBL10455059 0.81 RECQL (0.67) RECQLALDH1A1MEN1TSHRKMT2A
SCHEMBL9577149 0.81 RECQL (0.67) RECQLALDH1A1MEN1TSHRKMT2A
SCHEMBL13663732 0.80 RECQL (0.45) RECQLALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28254174 0.80 CA12 (0.66) RECQLALDH1A1MEN1TSHRKMT2A
SCHEMBL10078758 0.78 ALDH1A1 (0.75) RECQLALDH1A1MEN1TSHRKMT2A
SCHEMBL12656334 0.78 ALDH1A1 (0.75) RECQLALDH1A1MEN1TSHRKMT2A
SCHEMBL16118202 0.78 CA1 (0.59) RECQLALDH1A1MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 US disclosed
EP-1935916-A1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-06-25 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 (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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 RECQL 3165/4885ALDH1A1 974/4885MEN1 463/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 RECQL 2493/4885ALDH1A1 1092/4885MEN1 371/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 RECQL 1157/4885ALDH1A1 602/4885MEN1 246/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR RECQL 4083/4885ALDH1A1 816/4885MEN1 332/4885

“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.