SCHEMBL8039618

SCHEMBL8039618

CCCCOc1cc(I)c(/C(N)=N/O)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FAAH O00519 1/20 0.39
SMPD1 P17405 3/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
PRSS1 P07477 3/20 0.37
HTR2A P28223 1/20 0.36
PDE4B Q07343 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL12085121 0.83 LMNA (0.47) LMNATP53MAPTFAAHSMPD1
SCHEMBL12085119 0.79 TP53 (0.53) RAB9ATP53NPC1MAPTHSD17B10
SCHEMBL8041114 0.78 APP (0.46) RAB9ANPC1SMPD1
SCHEMBL8039629 0.78 APP (0.46) RAB9ANPC1SMPD1
SCHEMBL8044099 0.74 HPGD (0.48) GAARAB9ALMNANPC1HSD17B10
SCHEMBL17922746 0.70 KDM4E (0.51) GAALMNAMAPTFAAHSMPD1
SCHEMBL19405222 0.70 KDM4E (0.51) GAALMNAMAPTFAAHSMPD1
SCHEMBL27801270 0.70 APP (0.46) GAASMPD1
SCHEMBL8027591 0.69 PRKDC (0.47) GAALMNAMAPTALOX15HSD17B10
SCHEMBL12085120 0.69 AR (0.46) LMNAMAPTPDE3BPDE3A

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
US-7923462-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
US-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-11-04 US disclosed
EP-2246338-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2010-11-03 EP disclosed
WO-2009081891-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 WO 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-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP2D6, CYP3A43 GAA 202/4885RAB9A 1332/4885LMNA 4669/4885

“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.