SCHEMBL2843687

SCHEMBL2843687

O=C(Cc1ccc(F)cc1)c1ccnc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM5A P29375 4/20 0.42
KDM5B Q9UGL1 4/20 0.42
KDM4C Q9H3R0 2/20 0.42
KDM4A O75164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
XBP1 P17861 1/20 0.40
HIF1A Q16665 1/20 0.40
NPC1 O15118 1/20 0.40
NR3C2 P08235 1/20 0.40
KDM2B Q8NHM5 1/20 0.40

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
SCHEMBL6606556 0.84 WNT3A (0.50) LMNAHTTSMN1; SMN2RAB9AMAPT
SCHEMBL6643878 0.84 LMNA (0.43) LMNAHTTSMN1; SMN2RAB9AMAPT
SCHEMBL6641863 0.84 RAB9A (0.43) LMNAHTTSMN1; SMN2RAB9AMAPT
SCHEMBL2842825 0.84 GABRP (0.51) LMNAHTTSMN1; SMN2RAB9AMAPT
SCHEMBL828092 0.84 RAB9A (0.53) LMNAHTTSMN1; SMN2RAB9AKDM4E
SCHEMBL1993655 0.80 L3MBTL1 (0.58) LMNAHTTSMN1; SMN2RAB9AL3MBTL1
SCHEMBL2849295 0.79 NR3C2 (0.49) SMN1; SMN2RAB9ATP53NPC1NR3C2
SCHEMBL4091982 0.77 LOXL2 (0.47) LMNARAB9AKDM4EALOX15HSD17B10
SCHEMBL28639940 0.77 PTGS2 (0.44) KDM5AKDM5BKDM4CKDM4AFFAR1
SCHEMBL6201900 0.77 RAB9A (0.59) LMNAHTTSMN1; SMN2RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-10-28 US disclosed
EP-1853581-B1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2010-06-02 EP disclosed
US-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT Merckle (DE) 2010-03-18 US disclosed
EP-2054404-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2009-05-06 EP disclosed
EP-1894925-A1 Imidazole compounds having an antiinflammatory effect MERCKLE GMBH (DE) 2008-03-05 EP disclosed
WO-2008023066-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MERCKLE GMBH (DE) 2008-02-28 WO disclosed
EP-1853581-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2007-11-14 EP disclosed
WO-2006089798-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS MERCKLE GMBH (DE) 2006-08-31 WO 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 (2 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-20100069436-A1 IMIDAZOLE COMPOUNDS HAVING AN ANTIINFLAMMATORY EFFECT MIF, TNF, IL1B LMNA 4783/4885HTT 3131/4885SMN1; SMN2 3897/4885
US-20100273833-A1 2-SULFINYL- AND 2-SULFONYL-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS IL2, IL2RA, IL1B LMNA 4884/4885HTT 3753/4885SMN1; SMN2 1794/4885

“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.