SCHEMBL12415216

SCHEMBL12415216

ON=C(Nc1ccc(F)c(Cl)c1)c1cc(N2CCOCC2)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
PIK3CD O00329 3/20 0.49
PIK3CB P42338 3/20 0.49
CYP3A4 P08684 2/20 0.49
AKT1 P31749 2/20 0.49
PIK3CG P48736 2/20 0.49
PIK3CA P42336 2/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 2/20 0.48
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL12506964 0.86 LMNA (0.52) LMNAPIK3CDPIK3CBCYP3A4AKT1
SCHEMBL2185108 0.86 KMT2A (0.61) LMNAPIK3CDPIK3CBCYP3A4AKT1
SCHEMBL2184575 0.80 IDO1 (0.49) PIK3CDPIK3CBPIK3CA
SCHEMBL2184135 0.78 MEN1 (0.52) LMNACYP3A4KMT2AHTTMEN1
SCHEMBL2184140 0.78 MEN1 (0.52) LMNACYP3A4KMT2AHTTMEN1
SCHEMBL12415213 0.78 EPHX2 (0.51) MAPTAURKB
SCHEMBL2183725 0.77 MEN1 (0.71) LMNACYP3A4KMT2AHTTMEN1
SCHEMBL2183730 0.77 MEN1 (0.71) LMNACYP3A4KMT2AHTTMEN1
SCHEMBL2184306 0.74 MEN1 (0.51) LMNACYP3A4KMT2AHTTMEN1
SCHEMBL2184309 0.74 MEN1 (0.51) LMNACYP3A4KMT2AHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080214546-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-09-04 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-20080214546-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT LMNA 4753/4885PIK3CD 2397/4885PIK3CB 2396/4885
US-20110165188-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT LMNA 4753/4885PIK3CD 2397/4885PIK3CB 2396/4885

“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.