SCHEMBL6007689

SCHEMBL6007689

COc1cc2c(cc1OC)CN(C(=O)[C@@H]1CCCNC1)CC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
PDE4B Q07343 8/20 0.48
PDE4D Q08499 4/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 2/20 0.48
ATM Q13315 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6588272 1.00 KMT2A (0.50) KMT2ANPC1MAPK1PDE4BPDE4D
SCHEMBL6007696 1.00 KMT2A (0.50) KMT2ANPC1MAPK1PDE4BPDE4D
Hydrochloric Acid SCHEMBL6007653 0.99 KMT2A (0.49) KMT2ANPC1MAPK1PDE4BPDE4D
Hydrochloric Acid SCHEMBL6007647 0.99 KMT2A (0.49) KMT2ANPC1MAPK1PDE4BPDE4D
SCHEMBL1626453 0.87 MAPK1 (0.54) KMT2ANPC1MAPK1PDE4BPDE4D
Hydrochloric Acid SCHEMBL1626443 0.85 MAPK1 (0.53) KMT2ANPC1MAPK1PDE4BPDE4D
SCHEMBL3721098 0.79 SMN1; SMN2 (0.57) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6009649 0.79 ALDH1A1 (0.53) KMT2ANPC1MAPK1PDE4BPDE4D
SCHEMBL6009646 0.79 ALDH1A1 (0.53) KMT2ANPC1MAPK1PDE4BPDE4D
SCHEMBL3504812 0.79 KEAP1 (0.55) KMT2APDE4BPDE4DRAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084807-A1 Novel denzamide derivatives and process for production thereof ASTELLAS PHARMA INC. (JP) 2006-04-20 US disclosed
EP-1186601-B1 NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2004-03-24 EP disclosed
US-6573279-B1 Drug, particularly to a novel isoquinoline derivative or its salt having an If current inhibitory effect without serious side effects such as convulsion and also to a drug, particularly a cardiac rate lowering agent, containing the ASTELLAS PHARMA INC. (JP) 2003-06-03 US disclosed
EP-1186601-A1 NOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-03-13 EP 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-20060084807-A1 Novel denzamide derivatives and process for production thereof NNMT, SCN5A, QDPR KMT2A 483/4885NPC1 3020/4885MAPK1 1578/4885

“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.