SCHEMBL6094239

SCHEMBL6094239

COC(=O)c1ccc2[nH]c(CNN3CCOCC3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
CHEK1 O14757 1/20 0.44
CDK7 P50613 1/20 0.44
ALDH1A1 P00352 6/20 0.43
MLLT1 Q03111 1/20 0.42
HPGD P15428 2/20 0.42
GLA P06280 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
MGLL Q99685 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AKT1 P31749 1/20 0.42
HTR4 Q13639 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PIK3CA P42336 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
SCHEMBL22533987 0.76 SMN1; SMN2 (0.55) MAPTMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL6093891 0.75 SMN1; SMN2 (0.57) MAPTMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL4246402 0.75 SMN1; SMN2 (0.54) MAPTMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL29262338 0.75 MAPT (0.47) MAPTMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL10957904 0.74 HSD17B10 (0.54) MAPTMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL15294555 0.74 SMN1; SMN2 (0.53) MAPTMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8906504 0.74 L3MBTL1 (0.54) MAPTMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3737238 0.74 SMN1; SMN2 (0.53) MAPTMAPK1SMN1; SMN2KDM4ETSHR
SCHEMBL4244735 0.73 MAPT (0.52) MAPTMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1507162 0.73 CACNA1H (0.51) MAPTMAPK1SMN1; SMN2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 MAPT 4679/4885MAPK1 4322/4885SMN1; SMN2 1189/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 MAPT 4679/4885MAPK1 4322/4885SMN1; SMN2 1189/4885

“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.