SCHEMBL7898320

SCHEMBL7898320

O=c1oc2ccccc2c(O)c1C(c1ccc(F)cc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 12/20 0.86
TOP1 P11387 1/20 0.86
CYP2C9 P11712 1/20 0.75
CRHBP P24387 1/20 0.75
CASP7 P55210 1/20 0.75
CASP6 P55212 1/20 0.75
CRHR2 Q13324 1/20 0.75
HIF1A Q16665 1/20 0.75
TOP2A P11388 1/20 0.74
ALDH1A1 P00352 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
LMNA P02545 1/20 0.70
POLB P06746 1/20 0.70
MAPT P10636 1/20 0.70
RECQL P46063 1/20 0.70
GALK1 P51570 1/20 0.70
KMT2A Q03164 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70

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
SCHEMBL4385323 0.93 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL14172083 0.88 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL7896856 0.88 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL7907864 0.87 NQO1 (0.74) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL4390609 0.86 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL12028810 0.86 NQO1 (0.86) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL7909128 0.86 NQO1 (0.86) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL12028808 0.86 NQO1 (0.86) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL12028898 0.86 NQO1 (1.00) NQO1TOP1CYP2C9CRHBPCASP7
SCHEMBL7899682 0.86 NQO1 (0.86) NQO1TOP1CYP2C9CRHBPCASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133493-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER MEMORIAL SLOAN KETTERING CANCER CENTER 2015-05-14 US disclosed
US-20150133493-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER MEMORIAL SLOAN KETTERING CANCER CENTER 2015-05-14 US disclosed
US-20110306605-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-15 US disclosed
US-20110306605-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2011-12-15 US disclosed
WO-2010075280-A2 COUMARIN-BASED COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-07-01 WO disclosed
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 US disclosed
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 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 (3 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-20150133493-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER BACE1, PSEN1, APP NQO1 174/4885TOP1 431/4885CYP2C9 877/4885
US-20110306605-A1 COUMARIN-BASED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND CANCER BACE1, PSEN1, APP NQO1 174/4885TOP1 431/4885CYP2C9 877/4885
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity NOD1, NOD2, CASP1 NQO1 397/4885TOP1 1549/4885CYP2C9 26/4885

“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.