SCHEMBL9979784

SCHEMBL9979784

Oc1nc2cc3nc(O)c(O)nc3cc2nc1O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
NQO2 P16083 2/20 0.32
BACE1 P56817 1/20 0.31
CYP2C19 P33261 1/20 0.31
RPS6KB2 Q9UBS0 1/20 0.30

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
SCHEMBL16547258 0.86 KDM4E (0.42) NQO1KDM4EMAPTNQO2RPS6KB2
SCHEMBL15581110 0.83 TDP1 (0.42) NQO1KDM4EMAPTNQO2CYP2C19
SCHEMBL10846210 0.81 KDM4E (0.38) NQO1KDM4EMAPTCYP2C19
SCHEMBL9979793 0.81 NQO1 (0.36) NQO1KDM4EMAPTNQO2CYP2C19
2,3-Dihydroxy-6,7-Dichloroquinoxaline SCHEMBL1259521 0.81 MMP1 (0.50) NQO2
SCHEMBL10348834 0.81 MAPT (0.52) NQO1KDM4EMAPT
SCHEMBL4705252 0.81 PIK3R1 (0.39) NQO1KDM4EMAPTNQO2
SCHEMBL1259502 0.81 KDM4E (0.64) KDM4EMAPTNQO2BACE1
SCHEMBL18397673 0.78 NQO2 (0.62) KDM4EMAPTNQO2RPS6KB2
Hydrochloric Acid SCHEMBL9796912 0.78 KDM4E (0.32) KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021156605-A1 PHOTOACTIVE MATERIAL SUMITOMO CHEMICAL CO., LTD (JP) 2021-08-12 WO disclosed
US-9978474-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-22 US disclosed
US-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS UNITED STATES DEPARTMENT OF ENERGY 2016-08-25 US disclosed
US-9269473-B2 Conductive open frameworks THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-23 US disclosed
US-20150065596-A1 Synthesis of a Highly Crystalline, Covalently Linked Porous Network UNIVERSITY OF SOUTH CAROLINA 2015-03-05 US disclosed
US-20150065596-A1 Synthesis of a Highly Crystalline, Covalently Linked Porous Network UNIVERSITY OF SOUTH CAROLINA 2015-03-05 US disclosed
US-8829065-B2 Synthesis of a highly crystalline, covalently linked porous network UNIVERSITY OF SOUTH CAROLINA (US) 2014-09-09 US disclosed
US-20130030072-A1 Synthesis of a Highly Crystalline, Covalently Linked Porous Network UNIVERSITY OF SOUTH CAROLINA (US) 2013-01-31 US disclosed
US-8258197-B2 Synthesis of a highly crystalline, covalently linked porous network UNIVERSITY OF SOUTH CAROLINA (US) 2012-09-04 US disclosed
US-8258197-B2 Synthesis of a highly crystalline, covalently linked porous network UNIVERSITY OF SOUTH CAROLINA (US) 2012-09-04 US disclosed
WO-2012082213-A2 CONDUCTIVE OPEN FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-21 WO disclosed
US-20090227697-A1 SYNTHESIS OF A HIGHLY CRYSTALLINE, COVALENTLY LINKED POROUS NETWORK NATIONAL SCIENCE FOUNDATION 2009-09-10 US disclosed
WO-2007098263-A2 SYNTHESIS OF A HIGHLY CRYSTALLINE, COVALENTLY LINKED POROUS NETWORK UNIVERSITY OF SOUTH CAROLINA (US) 2007-08-30 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 (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-20160247593-A1 CONDUCTIVE OPEN FRAMEWORKS GJB2, OR10J3, EPCAM NQO1 695/4885KDM4E 2184/4885MAPT 3871/4885

“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.