SCHEMBL5785355

SCHEMBL5785355

COC1=COC=C2CC(C)(C)C(CC(C)(C)NC(=O)c3ccc(Cl)nc3)=C21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.37
GABRA5 P31644 2/20 0.35
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 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
SCHEMBL5785346 0.71 KMT2A (0.40) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL2090351 0.68 GAA (0.52) MEN1KMT2AGAAGABRA5RAB9A
SCHEMBL3531806 0.65 GAA (0.61) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL9010775 0.60 RAB9A (0.50) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL13527490 0.60 RAB9A (0.56) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL27683406 0.60 L3MBTL1 (0.55) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL3369793 0.60 L3MBTL1 (0.58) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL20788418 0.59 L3MBTL1 (0.57) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL9821286 0.58 RAB9A (0.48) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL103123 0.58 RAB9A (0.61) MEN1KMT2AGAARAB9ASMN1; 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
EP-1270577-B1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-12-06 EP disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 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-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A MEN1 2243/4885KMT2A 1140/4885GAA 2200/4885

“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.