SCHEMBL6071475

SCHEMBL6071475

CCOC(=O)CNC(=O)c1ccc(C2=NC(C)(C)Cc3cc(OCC)c4c(c32)CC(C)(C)O4)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACP1 P24666 1/20 0.34
TSHR P16473 1/20 0.33
HBB P68871 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
Hydrochloric Acid SCHEMBL6072141 0.91 HDAC1 (0.33) HTTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6071593 0.88 ALDH1A1 (0.34) NPC1RAB9ATP53GLASMN1; SMN2
SCHEMBL6072405 0.88 PLK1 (0.37) KMT2AALDH1A1
SCHEMBL6072319 0.87 HTT (0.36) TP53HTTSMN1; SMN2KMT2APOLB
SCHEMBL6072110 0.86 CASP1 (0.35) HTTPOLBRXFP1ALDH1A1MAPT
SCHEMBL5783270 0.86 MAPT (0.37) NPC1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL5783513 0.85 MAPK1 (0.38) NPC1RAB9ATP53GLASMN1; SMN2
SCHEMBL5786437 0.85 SSTR5 (0.40) KMT2ATSHR
Hydrochloric Acid SCHEMBL5784450 0.85 SSTR5 (0.39)
Hydrochloric Acid SCHEMBL5783510 0.84 MAPK1 (0.37) NPC1RAB9ATP53GLASMN1; 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 NPC1 4713/4885RAB9A 948/4885TP53 4360/4885

“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.