SCHEMBL2182229

SCHEMBL2182229

COC(=O)c1cc(OCCCBr)no1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.52
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
CHRNA4 P43681 2/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
CASP3 P42574 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
P2RX3 P56373 1/20 0.34
HTT P42858 1/20 0.34
GPR65 Q8IYL9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL12334447 0.87 SMPD1 (0.64) SMPD1NR1H2NR1H3TP53P2RX3
SCHEMBL5888236 0.85 SMPD1 (0.58) SMPD1NR1H2NR1H3CHRNA4CASP3
SCHEMBL25171017 0.85 SMPD1 (0.55) SMPD1NR1H2NR1H3CHRNA4MAPT
SCHEMBL2183887 0.83 SMPD1 (0.49) SMPD1NR1H2NR1H3CHRNA4HRH3
SCHEMBL31286775 0.82 SMPD1 (0.55) SMPD1NR1H2NR1H3ALDH1A1
SCHEMBL7896956 0.81 SMPD1 (0.50) SMPD1NR1H2NR1H3CHRNA4MAPT
SCHEMBL7311748 0.80 SMPD1 (0.46) SMPD1NR1H2NR1H3CHRNA4MAPT
SCHEMBL31286707 0.79 SMPD1 (0.50) SMPD1NR1H2NR1H3P2RX3L3MBTL1
SCHEMBL4758485 0.79 SMPD1 (0.45) SMPD1NR1H2NR1H3CHRNA4CASP3
SCHEMBL1858284 0.78 HRH3 (0.58) SMPD1MAPTKDM4EALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064194-B1 N-HYDROXYAMIDINOHETEROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE HOLDINGS CORP (US) 2018-11-07 EP disclosed
US-8507541-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-08-13 US disclosed
US-8507541-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-08-13 US disclosed
US-8507541-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-08-13 US disclosed
US-20110165188-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation a Delaware corporation 2011-07-07 US disclosed
US-20110165188-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation a Delaware corporation 2011-07-07 US disclosed
US-20110165188-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation a Delaware corporation 2011-07-07 US disclosed
US-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-05-13 US disclosed
EP-2148878-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-02-03 EP disclosed
EP-2064194-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2009-06-03 EP disclosed
WO-2008128335-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-10-30 WO disclosed
US-20080214546-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-09-04 US disclosed
US-20080214546-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-09-04 US disclosed
US-20080214546-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-09-04 US disclosed
WO-2008036653-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO disclosed
WO-2008036653-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 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 (3 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-20100120784-A1 NOVEL HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, ACSL6 SMPD1 769/4885NR1H2 5/4885NR1H3 7/4885
US-20080214546-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT SMPD1 1272/4885NR1H2 2103/4885NR1H3 2024/4885
US-20110165188-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT SMPD1 1272/4885NR1H2 2103/4885NR1H3 2024/4885

“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.