SCHEMBL11979720

SCHEMBL11979720

O=C(CO)c1cccc2oc(-c3ccccc3O)nc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.65
HTR3A P46098 3/20 0.38
KCNH2 Q12809 2/20 0.38
KDM6B O15054 1/20 0.38
KDM6A O15550 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
IDO1 P14902 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CREBBP Q92793 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL11979725 0.88 TOP2A (0.63) TOP2AHTR3AKCNH2KDM6BKDM6A
SCHEMBL2959863 0.86 TOP2A (0.70) TOP2AHTR3AKCNH2KDM6BKDM6A
SCHEMBL12807869 0.84 TOP2A (0.67) TOP2AHTR3AKCNH2KDM6BKDM6A
SCHEMBL14367754 0.84 TOP2A (0.75) TOP2AHTR3AKCNH2KDM6BKDM6A
SCHEMBL12807870 0.82 TOP2A (0.65) TOP2AHTR3AKCNH2KDM6BKDM6A
SCHEMBL15996408 0.81 TOP2A (0.70) TOP2AHTR3AKCNH2CYP3A4CREBBP
SCHEMBL5619653 0.81 TOP2A (0.95) TOP2AHTR3AKCNH2CYP3A4ALDH1A1
SCHEMBL11979724 0.79 TOP2A (1.00) TOP2AHTR3AKCNH2CYP3A4ALDH1A1
SCHEMBL29354263 0.79 TOP2A (1.00) TOP2AHTR3AKCNH2CYP3A4ALDH1A1
SCHEMBL9472720 0.78 TOP2A (0.77) TOP2AKDM6BKDM6ACASP3SENP8

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-8822515-B2 Heterocyclic benzoxazole compositions as inhibitors of hepatitis C virus UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2014-09-02 US disclosed
US-20120208856-A1 Heterocyclic Benzoxazole Compositions as Inhibitors of Hepatitis C Virus UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2012-08-16 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-20120208856-A1 Heterocyclic Benzoxazole Compositions as Inhibitors of Hepatitis C Virus HAVCR2, CYP3A7, CYP2C9 TOP2A 2515/4885HTR3A 3280/4885KCNH2 1890/4885

“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.