SCHEMBL4255778

SCHEMBL4255778

COC(=O)c1ccc(/C=C/c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
TDP1 Q9NUW8 2/20 0.57
PTPN1 P18031 1/20 0.55
HDAC1 Q13547 2/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MAPT P10636 6/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HTT P42858 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL4255782 1.00 KMT2A (0.57) KMT2ATDP1PTPN1HDAC1NPC1
SCHEMBL4265466 0.86 KMT2A (0.47) KMT2ATDP1HDAC1NPC1RAB9A
SCHEMBL4265469 0.86 KMT2A (0.47) KMT2ATDP1HDAC1NPC1RAB9A
SCHEMBL1379298 0.84 KMT2A (0.52) KMT2ATDP1NPC1RAB9AALDH1A1
SCHEMBL29779902 0.84 KMT2A (0.52) KMT2ATDP1NPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL2958779 0.83 KMT2A (0.51) KMT2ATDP1NPC1RAB9AALDH1A1
SCHEMBL8600381 0.81 HDAC1 (0.54) KMT2ATDP1PTPN1HDAC1ALDH1A1
SCHEMBL8601894 0.81 HDAC1 (0.54) KMT2ATDP1PTPN1HDAC1ALDH1A1
Sulfuric Acid SCHEMBL7332400 0.80 KMT2A (0.48) KMT2ATDP1NPC1RAB9AALDH1A1
Benzimidazole SCHEMBL28544564 0.77 RAB9A (0.56) KMT2ATDP1NPC1RAB9AALDH1A1

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-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 KMT2A 4665/4885TDP1 3171/4885PTPN1 4044/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 KMT2A 4665/4885TDP1 3171/4885PTPN1 4044/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 KMT2A 4665/4885TDP1 3171/4885PTPN1 4044/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 KMT2A 4665/4885TDP1 3171/4885PTPN1 4044/4885

“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.