SCHEMBL5630829

SCHEMBL5630829

CC(CO)N/C(=N/C#N)NCc1nonc1/C(=N/O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
IDO1 P14902 4/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5630845 1.00 SMN1; SMN2 (0.36) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL5630825 1.00 SMN1; SMN2 (0.36) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL14442981 0.93 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL14442980 0.91 SMN1; SMN2 (0.35) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL15100374 0.90 SMN1; SMN2 (0.36) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL5630120 0.88 SMN1; SMN2 (0.36) SMN1; SMN2LMNATSHRIDO1CYP1A2
SCHEMBL5633294 0.88 SMN1; SMN2 (0.36) SMN1; SMN2LMNATSHRIDO1CYP1A2
Trifluoroacetic Acid SCHEMBL5632104 0.87 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKDM4ETSHRIDO1
SCHEMBL5630673 0.87 MEN1 (0.39) SMN1; SMN2LMNATSHRIDO1CYP1A2
SCHEMBL5630660 0.87 MEN1 (0.39) SMN1; SMN2LMNATSHRIDO1CYP1A2

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 2 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-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed

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.