SCHEMBL1655700

SCHEMBL1655700

COc1cc(I)c(C(=O)N2CCCCC2)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
APP P05067 6/20 0.56
SCN9A Q15858 3/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL12791593 0.87 APP (0.56) NPC1RAB9AAPPSCN9AKMT2A
SCHEMBL12792438 0.85 NPC1 (0.57) NPC1RAB9AAPPSCN9AKMT2A
SCHEMBL1658628 0.85 APP (0.54) NPC1RAB9AAPPSCN9AKMT2A
SCHEMBL12082050 0.85 SCN9A (0.56) NPC1RAB9AAPPSCN9AKMT2A
SCHEMBL12082137 0.85 SCN9A (0.56) NPC1RAB9AAPPSCN9AKMT2A
SCHEMBL1656216 0.84 APP (0.53) NPC1RAB9AAPPSCN9AKMT2A
SCHEMBL12082044 0.83 SCN9A (0.57) NPC1RAB9AAPPSCN9AKMT2A
SCHEMBL1655886 0.82 CTSV (0.57) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL1656425 0.82 CTSV (0.57) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL1028006 0.81 MEN1 (0.53) NPC1RAB9AAPPSCN9AKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-20110172208-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) 2011-07-14 US disclosed
US-20110172208-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) 2011-07-14 US disclosed
US-20110172208-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) 2011-07-14 US disclosed
EP-2305633-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) 2011-04-06 EP disclosed
EP-2305633-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) 2011-04-06 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-20110172208-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP3A5, CYP2D6 NPC1 1305/4885RAB9A 1639/4885APP 2474/4885

“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.