SCHEMBL5631319

SCHEMBL5631319

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
LDHA P00338 1/20 0.33
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
RAPGEF3 O95398 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 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
SCHEMBL5632016 0.92 SMN1; SMN2 (0.35) IDO1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5632106 0.89 SMN1; SMN2 (0.37) IDO1MEN1KMT2ASMN1; SMN2CYP1A2
Trifluoroacetic Acid SCHEMBL5631316 0.88 SMN1; SMN2 (0.34) IDO1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5632797 0.88 IDO1 (0.39) IDO1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5633387 0.88 MAPT (0.46) IDO1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14442998 0.87 MEN1 (0.34) IDO1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5632845 0.85 ALDH1A1 (0.37) IDO1MEN1KMT2ASMN1; SMN2RAPGEF3
SCHEMBL5630928 0.85 SMN1; SMN2 (0.35) IDO1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL5630799 0.85 MEN1 (0.35) IDO1MEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL15100554 0.84 MEN1 (0.34) IDO1MEN1KMT2ASMN1; SMN2CYP1A2

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-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 (1 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-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.