SCHEMBL18126686

SCHEMBL18126686

O=c1oc2ccccc2c(O)c1C(c1c(O)c2ccccc2oc1=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 11/20 0.78
TOP1 P11387 1/20 0.78
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
CYP2C9 P11712 1/20 0.68
CRHBP P24387 1/20 0.68
CASP7 P55210 1/20 0.68
CASP6 P55212 1/20 0.68
CRHR2 Q13324 1/20 0.68
HIF1A Q16665 1/20 0.68
VKORC1 Q9BQB6 1/20 0.67

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
SCHEMBL14172134 0.89 NQO1 (0.68) NQO1TOP1MEN1KMT2ACYP2C9
SCHEMBL4385323 0.88 NQO1 (1.00) NQO1TOP1MEN1KMT2ACYP2C9
SCHEMBL7355113 0.86 NQO1 (0.94) NQO1TOP1MEN1KMT2ACYP2C9
SCHEMBL7896856 0.86 NQO1 (1.00) NQO1TOP1MEN1KMT2ACYP2C9
SCHEMBL310481 0.86 VKORC1 (0.82) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL14078661 0.86 NQO1 (0.73) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL32659670 0.86 VKORC1 (0.82) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL7355322 0.85 VKORC1 (0.74) NQO1TOP1MEN1KMT2ACYP2C9
SCHEMBL14172083 0.84 NQO1 (1.00) NQO1TOP1MEN1KMT2ACYP2C9
SCHEMBL19966048 0.83 NQO1 (0.57) NQO1TOP1MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277692-B1 COUMARIN DERIVATIVE AS ANTIVIRAL AGENT, PHARMACEUTICAL COMPOSITION THEREOF, ITS PREPARATION AND USE I NOVA MEDICINSKA ISTRAZIVANJA D O O (HR) 2019-09-11 EP disclosed
US-10266545-B2 Coumarin derivative as antiviral agent, pharmaceutical composition thereof, its preparation and use I-NOVA MEDICINSKA ISTRAZIVANJA D.O.O. (HR) 2019-04-23 US disclosed
US-20180072752-A1 COUMARIN DERIVATIVE AS ANTIVIRAL AGENT, PHARMACEUTICAL COMPOSITION THEREOF, ITS PREPARATION AND USE I-NOVA MEDICINSKA ISTRAZIVANJA D.O.O. (HR) 2018-03-15 US disclosed
US-20180072752-A1 COUMARIN DERIVATIVE AS ANTIVIRAL AGENT, PHARMACEUTICAL COMPOSITION THEREOF, ITS PREPARATION AND USE I-NOVA MEDICINSKA ISTRAZIVANJA D.O.O. (HR) 2018-03-15 US disclosed
WO-2016156888-A1 COUMARIN DERIVATIVE AS ANTIVIRAL AGENT, PHARMACEUTICAL COMPOSITION THEREOF, ITS PREPARATION AND USE I-NOVA MEDICINSKA ISTRAZIVANJA D.O.O. (HR) 2016-10-06 WO 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-20180072752-A1 COUMARIN DERIVATIVE AS ANTIVIRAL AGENT, PHARMACEUTICAL COMPOSITION THEREOF, ITS PREPARATION AND USE CYP3A7, MAVS, SARS1 NQO1 609/4885TOP1 775/4885MEN1 3224/4885
US-10266545-B2 Coumarin derivative as antiviral agent, pharmaceutical composition thereof, its preparation and use CYP3A7, MAVS, SARS1 NQO1 609/4885TOP1 775/4885MEN1 3224/4885

“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.