SCHEMBL1609194

SCHEMBL1609194

O=C1c2cc(O)c(O)cc2CN1c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
PKM P14618 3/20 0.42
PTGES O14684 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
PGR P06401 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
NFKB1 P19838 1/20 0.38
DRD1 P21728 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL1609263 0.82 PTGES (0.40) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL17199145 0.78 NPC1 (0.46) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL1608784 0.78 HTR2C (0.50) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL18470574 0.77 NPC1 (0.59) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL1608759 0.76 PTGES (0.42) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL28356711 0.76 NPC1 (0.74) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL30910321 0.76 NPC1 (0.74) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL18537510 0.75 CYP11B2 (0.44) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL17199222 0.74 MIF (0.46) CYP11B1CYP11B2NPC1RAB9APKM
SCHEMBL28625791 0.73 NPC1 (0.65) CYP11B1CYP11B2NPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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 (2 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 CYP11B1 29/4885CYP11B2 31/4885NPC1 558/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 CYP11B1 48/4885CYP11B2 64/4885NPC1 1824/4885

“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.