SCHEMBL5632016

SCHEMBL5632016

COCCN/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 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
IDO1 P14902 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MCHR1 Q99705 1/20 0.34
TP53 P04637 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
RAPGEF3 O95398 1/20 0.33

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
SCHEMBL5631319 0.92 IDO1 (0.35) SMN1; SMN2IDO1CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL5632011 0.90 SMN1; SMN2 (0.35) SMN1; SMN2IDO1CYP1A2CYP3A4CYP2D6
SCHEMBL5630928 0.89 SMN1; SMN2 (0.35) SMN1; SMN2IDO1CYP1A2CYP3A4CYP2D6
SCHEMBL14442989 0.89 IDO1 (0.36) SMN1; SMN2IDO1CYP1A2CYP3A4CYP2D6
SCHEMBL5633387 0.88 MAPT (0.46) SMN1; SMN2IDO1MEN1KMT2ATP53
SCHEMBL5632106 0.88 SMN1; SMN2 (0.37) SMN1; SMN2IDO1CYP1A2CYP3A4CYP2D6
SCHEMBL5632797 0.86 IDO1 (0.39) SMN1; SMN2IDO1CYP1A2CYP3A4CYP2D6
SCHEMBL5630799 0.84 MEN1 (0.35) SMN1; SMN2IDO1CYP1A2CYP3A4CYP2D6
SCHEMBL5632018 0.84 IDO1 (0.44) IDO1
SCHEMBL5632845 0.83 ALDH1A1 (0.37) SMN1; SMN2IDO1MEN1KMT2AALDH1A1

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 SMN1; SMN2 3175/4885IDO1 1/4885CYP1A2 202/4885

“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.