SCHEMBL4983598

SCHEMBL4983598

ON=C(Nc1ccc(F)c(Cl)c1)c1nonc1CNC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.46
UBE2M P61081 2/20 0.46
DCUN1D1 Q96GG9 2/20 0.46
ACHE P22303 9/20 0.46
BACE1 P56817 9/20 0.46
BCHE P06276 7/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4983588 1.00 TP53 (0.46) TP53MAPTUBE2MDCUN1D1ACHE
SCHEMBL14442451 0.90 TP53 (0.45) TP53MAPTUBE2MDCUN1D1LMNA
SCHEMBL4983602 0.84 IDO1 (0.51) ACHEBACE1BCHEKMT2AMEN1
SCHEMBL5632082 0.84 TP53 (0.43) TP53MAPTUBE2MDCUN1D1LMNA
SCHEMBL5632095 0.84 TP53 (0.43) TP53MAPTUBE2MDCUN1D1LMNA
SCHEMBL5631273 0.82 MALT1 (0.47) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL5631260 0.82 MALT1 (0.47) TP53MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4992727 0.81 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL4992714 0.81 SMN1; SMN2 (0.47) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL5630336 0.81 HPGD (0.51) TP53MAPTLMNASMN1; SMN2MAPK1

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-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP claimed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US claimed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US claimed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US claimed
EP-1971583-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Incyte Corporation (US) 2008-09-24 EP claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
WO-2007075598-A2 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2007-07-05 WO 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 (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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT TP53 1144/4885MAPT 2963/4885UBE2M 809/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT TP53 1144/4885MAPT 2963/4885UBE2M 809/4885

“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.