SCHEMBL13865854

SCHEMBL13865854

COc1nc2cccc(N)c2nc1-c1cccc2c(=O)[nH][nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GUSB P08236 2/20 0.36
▸ DAO P14920 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33

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
SCHEMBL13865866 0.74 MAPT (0.49) PARP1ALDH1A1DAORAB9AATM
SCHEMBL27551877 0.71 NQO2 (0.43) ALDH1A1NPC1RAB9AATML3MBTL1
SCHEMBL13866118 0.67 NPC1 (0.44) PARP1ALDH1A1NPC1MAPT
SCHEMBL5669224 0.65 MEN1 (0.60) NPC1RAB9AL3MBTL1KDM4EMEN1
SCHEMBL5819789 0.64 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AATML3MBTL1
SCHEMBL3916662 0.62 DAO (0.53) ALDH1A1DAOL3MBTL1KDM4EMEN1
SCHEMBL12004679 0.62 DAO (0.49) PARP1ALDH1A1DAOCDK4CCND1
SCHEMBL2865549 0.61 KDM4E (0.61) ALDH1A1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL31355397 0.59 MAPT (0.52) ALDH1A1NPC1RAB9AATML3MBTL1
SCHEMBL2869218 0.57 ALDH1A1 (0.45) ALDH1A1NPC1RAB9AKDM4ELMNA

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-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 PARP1 2039/4885ALDH1A1 975/4885GUSB 2590/4885

“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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