SCHEMBL718280

SCHEMBL718280

COc1ccc2nc(Oc3ccc(NC(N)=O)cc3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.49
NCF1 P14598 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PLAU P00749 2/20 0.45
MAPT P10636 3/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL282706 0.84 KDR (0.61) MEN1KMT2A
SCHEMBL282244 0.78 CDK8 (0.55) SMN1; SMN2MAPTHSD17B10HTTNPC1
SCHEMBL282139 0.77 RAF1 (0.54) SMN1; SMN2MAPTHSD17B10POLBMEN1
SCHEMBL717224 0.77 KDR (0.63) MEN1KMT2A
SCHEMBL2231779 0.75 PDE4B (0.61) KDM4EHDAC8HDAC6SMN1; SMN2MAPT
SCHEMBL360387 0.74 NPC1 (0.70) KDM4ESMN1; SMN2MAPTHSD17B10ALDH1A1
SCHEMBL3717678 0.74 HTT (0.50) KDM4ESMN1; SMN2MAPTMTNR1AMTNR1B
SCHEMBL3722368 0.73 HTT (0.52) KDM4ESMN1; SMN2MAPTMTNR1AMTNR1B
SCHEMBL15463609 0.73 KDR (0.64)
SCHEMBL718279 0.73 DDR2 (0.67) KDM4E

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-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 US claimed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 US claimed

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-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 PLA2G10 2914/4885NCF1 931/4885KDM4E 1618/4885

“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.