SCHEMBL5630799

SCHEMBL5630799

CN/C(=N\C#N)NCCCc1nonc1/C(=N/OC(=O)C(F)(F)F)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 6/20 0.34
IDO1 P14902 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 3/20 0.33
MAPT P10636 1/20 0.33
RAPGEF3 O95398 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MCHR1 Q99705 1/20 0.32

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 SCHEMBL5630795 0.89 TP53 (0.37) MEN1KMT2ASMN1; SMN2IDO1CYP1A2
SCHEMBL14978361 0.88 MEN1 (0.35) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5631319 0.85 IDO1 (0.35) MEN1KMT2ASMN1; SMN2IDO1CYP1A2
SCHEMBL5632016 0.84 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2IDO1CYP1A2
SCHEMBL14980207 0.84 MEN1 (0.35) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL5630800 0.84 IDO1 (0.43) IDO1
SCHEMBL5632106 0.83 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2IDO1CYP1A2
SCHEMBL5632797 0.82 IDO1 (0.39) MEN1KMT2ASMN1; SMN2IDO1CYP1A2
SCHEMBL5633387 0.80 MAPT (0.46) MEN1KMT2ASMN1; SMN2IDO1TP53
SCHEMBL5630928 0.80 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2IDO1CYP1A2

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 8 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-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 MEN1 1163/4885KMT2A 545/4885SMN1; SMN2 3175/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT MEN1 1163/4885KMT2A 545/4885SMN1; SMN2 3175/4885

“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.