SCHEMBL6072277

SCHEMBL6072277

CCOc1cc2c(c3c1OC(C)(C)C3)C(c1ccc(C(=O)O)c(N(Cc3ccccc3)C(C)=O)c1)=NC(C)(C)C2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SSTR5 P35346 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.30
HTR6 P50406 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL6072395 0.95 LMNA (0.32) KDM4EALDH1A1LMNAMAPT
SCHEMBL6072303 0.92 KDM4E (0.33) KDM4EALDH1A1LMNAMAPTSSTR5
SCHEMBL6072045 0.86 LTB4R2 (0.33) KDM4EALDH1A1LMNAMAPTSSTR5
SCHEMBL6072251 0.86 IRAK4 (0.30)
SCHEMBL6072516 0.86 MAPT (0.33) KDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6072382 0.86
SCHEMBL6071895 0.85 TDP1 (0.32)
Hydrochloric Acid SCHEMBL6072954 0.85 MCL1 (0.41) KDM4EALDH1A1LMNAMAPTADRB1
SCHEMBL6208625 0.85 KDM4E (0.32) KDM4EALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL6071838 0.84 TDP1 (0.31)

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 KDM4E 358/4885ALDH1A1 423/4885LMNA 2455/4885

“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.