SCHEMBL5632644

SCHEMBL5632644

CC(=O)N1CCC(S(=O)(=O)NCc2nonc2C(=NO)Nc2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 5/20 0.37
RORC P51449 1/20 0.36
TP53 P04637 1/20 0.36
EGFR P00533 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL5633955 0.96 IDO1 (0.38) IDO1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14462318 0.91 IDO1 (0.37) IDO1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL14462455 0.90 SMN1; SMN2 (0.40) IDO1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5632119 0.90 IDO1 (0.39) IDO1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5632116 0.90 IDO1 (0.39) IDO1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5633950 0.90 RORC (0.37) IDO1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5632021 0.89 IDO1 (0.40) IDO1MEN1KMT2AMAPTTP53
SCHEMBL5632024 0.89 IDO1 (0.40) IDO1MEN1KMT2AMAPTTP53
Trifluoroacetic Acid SCHEMBL5631788 0.86 IDO1 (0.38) IDO1MEN1KMT2ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL5631796 0.86 IDO1 (0.38) IDO1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 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 IDO1 1/4885MEN1 1163/4885KMT2A 545/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT IDO1 1/4885MEN1 1163/4885KMT2A 545/4885

“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.