SCHEMBL19409875

SCHEMBL19409875

COc1ccc(NC2=CC(=O)C(Nc3ccc(OC)cc3)=CC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ KDM4E B2RXH2 4/20 0.61
▸ NPC1 O15118 3/20 0.61
▸ MAPK1 P28482 3/20 0.61
▸ GAA P10253 3/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ THRB P10828 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ DNM1 Q05193 1/20 0.57
▸ CDK4 P11802 1/20 0.55
▸ NR4A1 P22736 1/20 0.52
▸ ALOX12 P18054 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ HTT P42858 3/20 0.50

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
SCHEMBL4052681 0.80 CDK4 (0.49) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL16296903 0.80 MAPT (0.69) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL19426943 0.78 MAPT (0.47) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL10880347 0.78 CDK4 (0.50) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL8369508 0.78 CDK4 (0.60) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL1459772 0.78 MAPT (1.00) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL39057 0.78 MAPT (1.00) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL8368915 0.77 CDK4 (0.65) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL11419341 0.75 DNM1 (0.71) MAPTRAB9AKDM4ENPC1MAPK1
SCHEMBL9650871 0.72 DNM1 (0.63) MAPTRAB9AKDM4ENPC1MAPK1

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-20170283366-A1 Benzoquinone Derivatives For Treatment Of Cancer And Methods Of Making The Benzoquinone Derivatives UNITED ARAB EMIRATES UNIVERSITY (AE) 2017-10-05 — — US claimed
US-20170283366-A1 Benzoquinone Derivatives For Treatment Of Cancer And Methods Of Making The Benzoquinone Derivatives UNITED ARAB EMIRATES UNIVERSITY (AE) 2017-10-05 — — US disclosed
US-20170283366-A1 Benzoquinone Derivatives For Treatment Of Cancer And Methods Of Making The Benzoquinone Derivatives UNITED ARAB EMIRATES UNIVERSITY (AE) 2017-10-05 — — 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-20170283366-A1 Benzoquinone Derivatives For Treatment Of Cancer And Methods Of Making The Benzoquinone Derivatives BRCA1, BBOX1, KMO MAPT 4775/4885RAB9A 2445/4885KDM4E 86/4885

“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.

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