SCHEMBL4077366

SCHEMBL4077366

O=C(NC1CCCNC1=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
ALDH1A1 P00352 3/20 0.67
KDM4E B2RXH2 1/20 0.61
DDB1 Q16531 1/20 0.61
CRBN Q96SW2 1/20 0.61
NPC1 O15118 1/20 0.60
HTT P42858 1/20 0.54
CCR2 P41597 3/20 0.52
KDM1A O60341 1/20 0.52
CHEK1 O14757 1/20 0.51
HPGDS O60760 1/20 0.51
TACR2 P21452 1/20 0.47
TACR1 P25103 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
SCHEMBL4077361 1.00 RAB9A (0.68) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL4078575 1.00 RAB9A (0.68) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL8381645 0.95 RAB9A (0.75) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL15087624 0.95 RAB9A (0.75) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL3730396 0.91 DDB1 (0.64) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL4134276 0.91 DDB1 (0.64) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL14856310 0.85 RAB9A (0.92) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL14856126 0.85 RAB9A (0.69) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL15087627 0.85 RAB9A (0.92) RAB9AALDH1A1KDM4EDDB1CRBN
SCHEMBL14856370 0.85 RAB9A (0.69) RAB9AALDH1A1KDM4EDDB1CRBN

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-20130172318-A1 ANTI-INFLAMMATORY AGENTS GRAINGER DAVID JOHN (GB) 2013-07-04 US disclosed
EP-2580196-A1 ANTI-INFLAMMATORY AGENTS Cambridge Enterprise Ltd. (GB) 2013-04-17 EP disclosed
WO-2011154696-A1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-12-15 WO disclosed
US-7531657-B2 Method for preparing sulphostin and analogue thereof or preparation intermediate thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-12 US disclosed
US-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-01-27 US disclosed
EP-1457494-A1 PROCESSES FOR PREPARATION OF SULPHOSTIN AND ITS ANALOGUES OR INTERMEDIATES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2004-09-15 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 (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-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof SOST, PTMS, FGF23 RAB9A 3013/4885ALDH1A1 3724/4885KDM4E 3668/4885
US-20130172318-A1 ANTI-INFLAMMATORY AGENTS IL6, TNF, IL1B RAB9A 3124/4885ALDH1A1 196/4885KDM4E 1765/4885

“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.