SCHEMBL5633481

SCHEMBL5633481

CS(=O)(=O)NCc1nonc1/C(=N/O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 3/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
IKBKB O14920 1/20 0.40
GAA P10253 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
XBP1 P17861 2/20 0.39
PAX8 Q06710 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5633483 1.00 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL14443054 0.91 MAPT (0.45) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4980747 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4980755 0.90 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5632157 0.84 IDO1 (0.35) ALDH1A1KMT2AMAPTMEN1
SCHEMBL5632152 0.84 IDO1 (0.35) ALDH1A1KMT2AMAPTMEN1
SCHEMBL147069 0.84 IDO1 (0.49) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL30449652 0.84 IDO1 (0.49) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL30448914 0.84 IDO1 (0.49) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL147068 0.84 IDO1 (0.49) ALDH1A1KMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP disclosed
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 ALDH1A1 1216/4885KMT2A 545/4885MAPT 2963/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT ALDH1A1 1216/4885KMT2A 545/4885MAPT 2963/4885

“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.