SCHEMBL17624907

SCHEMBL17624907

COc1ccc(-c2cc(C3CC3)nc3sc4c(=N)[nH]cnc4c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 7/20 0.53
HPGD P15428 6/20 0.53
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
CDK8 P49336 1/20 0.53
CDK19 Q9BWU1 1/20 0.53
GAA P10253 1/20 0.49
RCE1 Q9Y256 1/20 0.49
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
NPC1 O15118 1/20 0.35
PDPK1 O15530 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIMK1 P53667 1/20 0.35

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
SCHEMBL4900523 0.80 MAPT (0.60) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL431028 0.69 CDK8 (1.00) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL4902783 0.63 PPARG (0.64) KDM4EHPGDLIMK1CDC7DBF4
SCHEMBL18849179 0.58 CDK8 (0.80) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL16838740 0.57 NOTUM (0.46) NPC1RAB9AMAT2AMEN1KMT2A
SCHEMBL6968638 0.57 KMT2A (0.57) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL19769160 0.56 CDK8 (0.77) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL8401183 0.56 ALDH1A1 (0.51) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL3094239 0.56 EP300 (0.58) TDP1MEN1KMT2A
SCHEMBL311158 0.56 KMT2A (0.56) KDM4EALDH1A1MAPTGAAMAPK1

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-9521850-B2 Antimicrobial compounds and their use in treating plant disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-12-20 US disclosed
US-20160081341-A1 ANTIMICROBIAL COMPOUNDS AND THEIR USE IN TREATING PLANT DISEASE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-03-24 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 (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-20160081341-A1 ANTIMICROBIAL COMPOUNDS AND THEIR USE IN TREATING PLANT DISEASE SEC23A, SEC13, NAAA KDM4E 4015/4885ALDH1A1 3754/4885HPGD 2939/4885

“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.