SCHEMBL6072217

SCHEMBL6072217

CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)O)c(NC(=O)c3ccncc3)c1)=NC(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.38
GAA P10253 3/20 0.35
AHR P35869 1/20 0.35
GSK3B P49841 3/20 0.35
GSK3A P49840 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 5/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6072931 0.94 HDAC1 (0.39) CREBBPGAAAHRHDAC1HDAC8
SCHEMBL6071789 0.93 GAA (0.35) CREBBPGAAAHRGSK3BGSK3A
SCHEMBL6072017 0.92 KDM4E (0.44) GAAHDAC1MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL6072400 0.92 AHR (0.35) CREBBPGAAAHRGSK3BGSK3A
SCHEMBL6072110 0.90 CASP1 (0.35) CREBBPGAAAHRGSK3BGSK3A
SCHEMBL6071815 0.89 SMN1; SMN2 (0.34) CREBBPMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6072367 0.89 HDAC1 (0.39) CREBBPGAAAHRHDAC1HDAC8
Hydrochloric Acid SCHEMBL6072215 0.88 MAPT (0.42) GAAAHRHDAC1MAPTLMNA
SCHEMBL6071949 0.88 HDAC1 (0.38) CREBBPGAAAHRHDAC1HDAC8
SCHEMBL6072284 0.88 IDO1 (0.33) MAPTLMNAMEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 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-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A CREBBP 2035/4885GAA 3467/4885AHR 551/4885

“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.