SCHEMBL4840833

SCHEMBL4840833

COc1ccc(CN(c2cc(-n3ccnc3-c3ccccc3)ccc2[N+](=O)[O-])S(=O)(=O)C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
PTPRB P23467 1/20 0.36
KDR P35968 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
TXNRD1 Q16881 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL6210942 0.84 HPGD (0.38) GAAHPGDMAPK1SMN1; SMN2NPC1
SCHEMBL4838706 0.75 APLNR (0.45) MMP1MMP9MMP13LMNAALDH1A1
SCHEMBL4830332 0.71 KDR (0.41) GAAHPGDMAPK1SMN1; SMN2ALDH1A1
SCHEMBL11385870 0.69 KDR (0.58) GAAHPGDSMN1; SMN2NPC1LMNA
SCHEMBL989748 0.68 MAPT (0.54) MAPK1SMN1; SMN2ALDH1A1KDRNPSR1
SCHEMBL6212901 0.66 KDR (0.41) HPGDMAPK1SMN1; SMN2ALDH1A1KDR
SCHEMBL23382222 0.65 KDR (0.59) LMNAKDRMAPTFLT1FLT4
SCHEMBL30878105 0.65 KDR (0.59) LMNAKDRMAPTFLT1FLT4
SCHEMBL28186197 0.65 KDR (0.55) HPGDMAPK1SMN1; SMN2NPC1ALDH1A1
SCHEMBL30958216 0.64 CYP19A1 (0.42) HPGDSMN1; SMN2MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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 (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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 GAA 4773/4885HPGD 3708/4885MAPK1 3/4885

“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.