SCHEMBL2190877

SCHEMBL2190877

CC(C)c1cc(/C(=N\O)Nc2ccc(F)c(Cl)c2)no1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 15/20 0.75
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2190879 1.00 SMN1; SMN2 (0.75) SMN1; SMN2MEN1KMT2ANPC1TP53
SCHEMBL15427027 0.86 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2ANPC1TP53
SCHEMBL2190710 0.85 L3MBTL1 (0.62) SMN1; SMN2MEN1KMT2ANPC1TP53
SCHEMBL2190712 0.85 L3MBTL1 (0.62) SMN1; SMN2MEN1KMT2ANPC1TP53
SCHEMBL12507422 0.84 SMN1; SMN2 (0.77) SMN1; SMN2MEN1KMT2ANPC1TP53
SCHEMBL2191264 0.78 MEN1 (0.53) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2191268 0.78 MEN1 (0.53) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL14164036 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL15427126 0.78 SMN1; SMN2 (0.75) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2190882 0.77 IDO1 (0.59) SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064207-B1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORP (US) 2013-11-06 EP claimed
US-8377976-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-02-19 US claimed
US-20110172279-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION, A DELAWARE CORPORATION 2011-07-14 US claimed
EP-2064207-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2009-06-03 EP claimed
US-20080125470-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-29 US claimed
WO-2008036642-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
EP-2064207-B1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORP (US) 2013-11-06 EP disclosed
US-8377976-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-02-19 US disclosed
US-20110172279-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION, A DELAWARE CORPORATION 2011-07-14 US disclosed
US-20080125470-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-29 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 (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-20110172279-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT SMN1; SMN2 3241/4885MEN1 2391/4885KMT2A 675/4885
US-20080125470-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT SMN1; SMN2 3241/4885MEN1 2391/4885KMT2A 675/4885

“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.