SCHEMBL17637777

SCHEMBL17637777

O=c1oc2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PLA2G2A P14555 3/20 0.40
▸ PLA2G4A P47712 3/20 0.40
▸ CA9 Q16790 3/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL17638031 1.00 KMT2A (0.48) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL16925933 0.92 KDM4E (0.45) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL16925714 0.92 KDM4E (0.45) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17637987 0.92 KDM4E (0.42) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17637986 0.92 KDM4E (0.42) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL19472195 0.91 NPC1 (0.45) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL16801953 0.91 L3MBTL1 (0.46) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17637912 0.91 L3MBTL1 (0.46) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17637778 0.91 NPSR1 (0.47) KMT2AMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL17637885 0.91 L3MBTL1 (0.46) KMT2AMAPK1NPC1RAB9ASMN1; SMN2

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-3197887-B1 HETEROCYCLIC COMPOUNDS WITH BENZO[C]COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2020-09-23 — — EP disclosed
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures MERCK PATENT GMBH (DE) 2019-08-13 — — US disclosed
US-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2017-10-19 — — US disclosed
US-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2017-10-19 — — US disclosed
WO-2016045769-A1 HETEROCYCLIC COMPOUNDS WITH BENZO[C]COUMARIN-STRUCTURES MERCK PATENT GMBH (DE) 2016-03-31 — — 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-20170298077-A1 HETEROCYCLIC COMPOUNDS WITH BENZO(C)COUMARIN-STRUCTURES NISCH, SIRT3, NQO1 KMT2A 3494/4885MAPK1 2068/4885NPC1 1598/4885
US-10377766-B2 Heterocyclic compounds with benzo(c)coumarin-structures NISCH, SIRT3, NQO1 KMT2A 3494/4885MAPK1 2068/4885NPC1 1598/4885

“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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