SCHEMBL10009367

SCHEMBL10009367

Clc1nc2ccccc2nc1-c1nc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.52
PKM P14618 2/20 0.52
RAB9A P51151 10/20 0.50
NPC1 O15118 9/20 0.50
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 5/20 0.49
MAPT P10636 5/20 0.49
ILK Q13418 3/20 0.49
PAX8 Q06710 1/20 0.49
NOD2 Q9HC29 1/20 0.49
GAA P10253 3/20 0.49
APP P05067 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
MEN1 O00255 2/20 0.49

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
SCHEMBL10009918 0.82 RAB9A (0.57) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1128092 0.79 NPC1 (0.57) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL827403 0.78 RAB9A (0.67) KDM4EPKMRAB9ANPC1ALDH1A1
SCHEMBL4495847 0.78 RAB9A (0.53) KDM4EPKMRAB9ANPC1ALDH1A1
Hydrogen Sulfide SCHEMBL28205214 0.76 RAB9A (0.64) KDM4EPKMRAB9ANPC1ALDH1A1
Hydrogen Sulfide SCHEMBL16859912 0.76 RAB9A (0.64) KDM4EPKMRAB9ANPC1ALDH1A1
Methane SCHEMBL28056221 0.76 RAB9A (0.64) KDM4EPKMRAB9ANPC1ALDH1A1
SCHEMBL12861180 0.73 RAB9A (0.59) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL2139236 0.73 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL29829782 0.73 KDM4E (0.64) KDM4ERAB9ANPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119319-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2015-04-30 US disclosed
US-20150119319-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2015-04-30 US disclosed
US-20150119319-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2015-04-30 US disclosed
US-8937041-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2015-01-20 US disclosed
US-8937041-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2015-01-20 US disclosed
US-8937041-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2015-01-20 US disclosed
EP-2658859-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2013-11-06 EP disclosed
US-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-07-05 US disclosed
US-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-07-05 US disclosed
US-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBVIE INC. 2012-07-05 US disclosed
WO-2012092409-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARARMACEUTICALS, INC (US) 2012-07-05 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-20150119319-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 KDM4E 3420/4885PKM 2102/4885RAB9A 2511/4885
US-20120172291-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 KDM4E 3420/4885PKM 2102/4885RAB9A 2511/4885

“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.