SCHEMBL4830332

SCHEMBL4830332

CC(C)S(=O)(=O)Nc1cc(-n2ccnc2-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
MAPT P10636 12/20 0.40
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
HTR6 P50406 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT6 Q8N6T7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4833774 0.83 KDR (0.43) KDRMAPK9MAPK10
SCHEMBL989748 0.83 MAPT (0.54) KDRMAPTALDH1A1KMT2ANPSR1
SCHEMBL6212901 0.82 KDR (0.41) KDRMAPTALDH1A1KMT2ANPSR1
SCHEMBL14314156 0.77 ACLY (0.54) MAPTALDH1A1KMT2ANPSR1MAPK1
SCHEMBL14279374 0.72 APP (0.43) MAPTALDH1A1KMT2ANPSR1MAPK1
SCHEMBL4840833 0.71 GAA (0.38) KDRMAPTALDH1A1NPSR1MAPK1
SCHEMBL17743800 0.70 SMN1; SMN2 (0.55) MAPTALDH1A1KMT2ANPSR1CYP1A2
SCHEMBL11166570 0.70 MAPT (0.50) MAPTALDH1A1KMT2ANPSR1HTT
SCHEMBL14279372 0.69 ALDH1A1 (0.42) MAPTALDH1A1KMT2ANPSR1MAPK1
SCHEMBL10905261 0.69 MAPK1 (0.53) MAPTALDH1A1NPSR1HTTMAPK1

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 KDR 1773/4885MAPT 1235/4885ALDH1A1 1864/4885

“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.