SCHEMBL21237001

SCHEMBL21237001

COc1c2cc(C(C)SO)oc2c(OC)c2cccnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CASP6 P55212 2/20 0.35
NSD2 O96028 1/20 0.35
PABPC1 P11940 1/20 0.34
CASP7 P55210 1/20 0.34
RAD52 P43351 1/20 0.33
SYK P43405 1/20 0.33
G6PD P11413 1/20 0.33
HTT P42858 4/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 2/20 0.32
MITF O75030 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 3/20 0.32

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
SCHEMBL18384636 0.86 CASP6 (0.37) HSP90AA1HSP90AB1CASP6NSD2PABPC1
SCHEMBL21237006 0.86 CASP6 (0.39) HSP90AA1HSP90AB1CASP6NSD2PABPC1
SCHEMBL18384668 0.81 CASP6 (0.37) HSP90AA1HSP90AB1CASP6NSD2PABPC1
SCHEMBL18384638 0.75 KDM4E (0.41) CASP6NSD2PABPC1CASP7HTT
SCHEMBL18384637 0.75 PDE4A (0.47) HTTKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL18473267 0.74 NSD2 (0.38) HSP90AA1HSP90AB1CASP6NSD2RAD52
SCHEMBL18384632 0.74 KDM4E (0.44) HSP90AA1CASP6PABPC1CASP7HTT
SCHEMBL18384665 0.70 PDE4A (0.47) HTTKDM4ELMNAMAPTSMN1; SMN2
SCHEMBL18384670 0.70 KDM4E (0.41) CASP6NSD2PABPC1CASP7HTT
SCHEMBL18419278 0.70 CTSB (0.38) HSP90AA1HSP90AB1CASP6NSD2PABPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934309-B2 Tricyclic quinone derivative SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2021-03-02 US disclosed
US-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. 2019-08-08 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-20190241583-A1 NEW TRICYCLIC QUINONE DERIVATIVE NQO1, SQOR, SULT1E1 HSP90AA1 2704/4885HSP90AB1 2732/4885CASP6 3962/4885
US-10934309-B2 Tricyclic quinone derivative NQO1, NQO2, SQOR HSP90AA1 3013/4885HSP90AB1 3086/4885CASP6 4211/4885

“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.