SCHEMBL29530

SCHEMBL29530

O=C1c2ccccc2C(=O)c2c(-c3ccccc3)coc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MAPT P10636 8/20 0.55
MEN1 O00255 7/20 0.55
HTT P42858 6/20 0.55
ALDH1A1 P00352 4/20 0.55
APAF1 O14727 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 2/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
LMNA P02545 4/20 0.44
CDC25B P30305 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 0.44
MPI P34949 1/20 0.44

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
SCHEMBL24119085 0.87 MAPT (0.58) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL25706159 0.76 MAPT (0.39) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL16167167 0.76 MAPT (0.53) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL25649956 0.76 ADORA2A (0.55) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL30601020 0.76 MAPT (0.53) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL24818258 0.74 ALDH1A1 (0.40) MAPTHTTALDH1A1NPSR1LMNA
SCHEMBL23232542 0.73 USP1 (0.46) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL16167389 0.73 NQO1 (0.53) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL11776755 0.71 MAPT (0.44) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL23409702 0.71 MEN1 (0.55) KMT2AMAPTMEN1HTTALDH1A1

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-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
WO-2012024818-A1 NOVEL ANPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-03-01 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-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 KMT2A 2722/4885MAPT 3136/4885MEN1 1695/4885

“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.