SCHEMBL6477475

SCHEMBL6477475

COC(=O)c1ccc2sc(N)nc2c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
GAA P10253 4/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PDPK1 O15530 1/20 0.41
MAPT P10636 4/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
GLA P06280 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 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
SCHEMBL6476488 0.82 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2PKML3MBTL1
SCHEMBL9722753 0.81 CYP3A4 (0.56) ALDH1A1GAAMAPK1CYP3A4TDP1
SCHEMBL6184828 0.77 CYP3A4 (0.46) ALDH1A1GAAMAPK1CYP3A4TDP1
SCHEMBL9619834 0.77 HSD17B10 (0.55) ALDH1A1GAAMAPK1CYP3A4KDM4E
SCHEMBL23858524 0.77 ALDH1A1 (0.46) ALDH1A1GAAMAPK1CYP3A4KDM4E
SCHEMBL20297766 0.75 ALDH1A1 (0.44) ALDH1A1GAAMAPK1CYP3A4KDM4E
SCHEMBL19783111 0.73 CISD2 (0.46) ALDH1A1CYP3A4TDP1KDM4EHSD17B10
SCHEMBL7158040 0.73 CA12 (0.40) ALDH1A1GAAKDM4EHSD17B10SMN1; SMN2
SCHEMBL7936559 0.73 PDPK1 (0.58) ALDH1A1GAACYP3A4TDP1HSD17B10
SCHEMBL6057635 0.72 NSD1 (0.55) ALDH1A1GAAMAPK1CYP3A4TDP1

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
US-6908884-B2 Benzazolonylcarbonylcyclohexenones and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2005-06-21 US disclosed
US-20040063584-A1 Benzazolonylcarbonylcyclohexenones and their use ss herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-04-01 US disclosed
US-20040033899-A1 5[(pyrazol-4-yl)carbonyl]benzazolone as herbicide BASF AKTIENGESELLSCHAFT (DE) 2004-02-19 US disclosed
US-6541423-B1 Controlling vegatation BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 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-20040033899-A1 5[(pyrazol-4-yl)carbonyl]benzazolone as herbicide CBR3, DDT, CYP1B1 ALDH1A1 121/4885GAA 1655/4885MAPK1 1037/4885
US-20040063584-A1 Benzazolonylcarbonylcyclohexenones and their use ss herbicides HK1, HK2, BBC3 ALDH1A1 433/4885GAA 1212/4885MAPK1 891/4885

“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.