SCHEMBL2646780

SCHEMBL2646780

CCCS(=O)(=O)c1ccc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
KDM4E B2RXH2 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.37
CASP3 P42574 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
SCHEMBL1657082 0.87 KDM4E (0.41) PPARDKDM4EMAPK1L3MBTL1NPC1
SCHEMBL424168 0.82 PPARD (0.42) PPARDKDM4EL3MBTL1RAB9APOLB
SCHEMBL11204876 0.80 LOXL2 (0.39) LOXL2ALDH1A1SMN1; SMN2LMNA
SCHEMBL19868461 0.79 KDM4E (0.41) PPARDKDM4EL3MBTL1RAB9APOLB
SCHEMBL4971748 0.79 CA12 (0.56) PPARDKDM4ELOXL2NPC1RAB9A
SCHEMBL16013946 0.79 GBA1 (0.41) PPARDKDM4ELOXL2L3MBTL1NPC1
SCHEMBL22854087 0.76 PPARD (0.41) PPARDLOXL2NPC1RAB9APOLB
SCHEMBL2645976 0.75 NFE2L2 (0.41) KDM4EL3MBTL1POLBNFE2L2PTGS1
SCHEMBL4079671 0.74 KDM4E (0.37) PPARDKDM4ERAB9APOLBJAK2
SCHEMBL4973717 0.73 RAB9A (0.56) KDM4ENPC1RAB9APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 PPARD 936/4885KDM4E 2940/4885LOXL2 3924/4885

“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.