SCHEMBL4900358

SCHEMBL4900358

O/N=C(/Nc1ccc(F)c(Cl)c1)c1nonc1CNCCCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOB P27338 1/20 0.42
QPCT Q16769 5/20 0.41
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
GSK3B P49841 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
MEN1 O00255 2/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL4727606 1.00 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
Trifluoroacetic Acid SCHEMBL5632105 0.94 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
Trifluoroacetic Acid SCHEMBL5632113 0.94 ALOX15 (0.47) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
SCHEMBL14462393 0.89 ALOX15 (0.48) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
SCHEMBL5632784 0.87 ALOX15 (0.40) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
SCHEMBL5632786 0.87 ALOX15 (0.40) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
SCHEMBL5633335 0.85 MEN1 (0.39) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
SCHEMBL5633341 0.85 MEN1 (0.39) ALOX15HSD17B10ALDH1A1L3MBTL1CYP1A2
SCHEMBL4727615 0.85 IDO1 (0.52) IDO1
SCHEMBL5631304 0.83 EGFR (0.46) ALDH1A1CYP3A4CYP2D6CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP claimed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US claimed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US disclosed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US disclosed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US 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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT ALOX15 429/4885HSD17B10 812/4885ALDH1A1 1216/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT ALOX15 429/4885HSD17B10 812/4885ALDH1A1 1216/4885
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALOX15 1687/4885HSD17B10 1299/4885ALDH1A1 2238/4885

“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.