SCHEMBL5783751

SCHEMBL5783751

COc1cc(CC(C)(C)N)cc2c1OC(C)(C)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.40
KMT2A Q03164 1/20 0.38
DHFR P00374 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 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
SCHEMBL5782999 0.83 KMT2A (0.41) KMT2ANPC1RAB9ALMNAALDH1A1
SCHEMBL5785017 0.82 HTR2A (0.49) HTR2AKMT2ADHFRLMNAKDM4E
SCHEMBL5786290 0.81 KMT2A (0.42) HTR2AKMT2ADHFRNPC1RAB9A
SCHEMBL5787351 0.81 KMT2A (0.40) HTR2AKMT2AHIF1AEPAS1
SCHEMBL5786313 0.80 NPC1 (0.39) KMT2ANPC1RAB9ALMNAKDM4E
SCHEMBL28496894 0.79 KMT2A (0.39) HTR2AKMT2ADHFRNPC1RAB9A
SCHEMBL5787801 0.78 KDM4E (0.41) HTR2AKMT2ADHFRNPC1RAB9A
SCHEMBL5783836 0.77 KMT2A (0.42) HTR2AKMT2ANPC1RAB9AHIF1A
SCHEMBL5785128 0.77 HTR2A (0.40) HTR2AKMT2ADHFRNPC1RAB9A
SCHEMBL5784632 0.75 KMT2A (0.36) KMT2ANPC1RAB9ALMNAALDH1A1

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 HTR2A 4536/4885KMT2A 1140/4885DHFR 776/4885

“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.