SCHEMBL2184322

SCHEMBL2184322

O=C(Nc1ccc(F)c(Cl)c1)c1cc(OCCCBr)no1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
SMN1; SMN2 Q16637 6/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMPD1 P17405 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 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
SCHEMBL12507067 0.87 MEN1 (0.44) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL14077055 0.86 MEN1 (0.43) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2184331 0.84 MEN1 (0.54) KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL3996377 0.80 MEN1 (0.50) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28440326 0.79 MEN1 (0.53) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2183729 0.79 KMT2A (0.74) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL2183769 0.78 SMPD1 (0.35) KMT2AMEN1SMN1; SMN2L3MBTL1SMPD1
SCHEMBL12506969 0.72 HRH3 (0.47) RAB9AMAPT
Hydrochloric Acid SCHEMBL28450778 0.71 MEN1 (0.44) KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL2184070 0.71 HRH3 (0.46) RAB9AMAPT

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
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-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
EP-2064194-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2009-06-03 EP 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 (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 KMT2A 675/4885MEN1 2391/4885SMN1; SMN2 3241/4885
US-20110165188-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT KMT2A 675/4885MEN1 2391/4885SMN1; SMN2 3241/4885

“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.