SCHEMBL5630928

SCHEMBL5630928

COCC(C)N/C(=N/C#N)NCc1nonc1/C(=N/OC(=O)C(F)(F)F)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
IDO1 P14902 3/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAPGEF3 O95398 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5632106 0.94 SMN1; SMN2 (0.37) SMN1; SMN2LMNAKDM4ETSHRIDO1
Trifluoroacetic Acid SCHEMBL5630925 0.90 SMN1; SMN2 (0.35) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL5632016 0.89 SMN1; SMN2 (0.35) SMN1; SMN2TSHRIDO1TP53CYP1A2
SCHEMBL14442980 0.89 SMN1; SMN2 (0.35) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL14980203 0.86 SMN1; SMN2 (0.35) SMN1; SMN2LMNAKDM4ETSHRTP53
SCHEMBL5632797 0.86 IDO1 (0.39) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL5631319 0.85 IDO1 (0.35) SMN1; SMN2TSHRIDO1TP53CYP1A2
SCHEMBL5633387 0.85 MAPT (0.46) SMN1; SMN2IDO1TP53MEN1KMT2A
SCHEMBL5630934 0.85 IDO1 (0.41) IDO1
Trifluoroacetic Acid SCHEMBL5632104 0.82 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKDM4ETSHRIDO1

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 4 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
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 SMN1; SMN2 3175/4885LMNA 4520/4885KDM4E 1275/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT SMN1; SMN2 3175/4885LMNA 4520/4885KDM4E 1275/4885

“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.