SCHEMBL5629968

SCHEMBL5629968

NS(=O)(=O)c1ccc(CCNCc2nonc2C(=NOC(=O)C(F)(F)F)Nc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA1 P00915 13/20 0.45
CA9 Q16790 9/20 0.45
CA7 P43166 5/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 4/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA4 P22748 2/20 0.40
SOS1 Q07889 1/20 0.39
IDO1 P14902 1/20 0.38
P2RY1 P47900 1/20 0.37

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
SCHEMBL5631303 0.93 MEN1 (0.49) CA2MEN1KMT2ACA1CA9
SCHEMBL5632001 0.89 SMN1; SMN2 (0.44) MEN1KMT2ALMNAMAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5629977 0.89 CA2 (0.47) CA2MEN1KMT2ACA1CA9
Trifluoroacetic Acid SCHEMBL5629964 0.89 CA2 (0.47) CA2MEN1KMT2ACA1CA9
SCHEMBL5633130 0.88 MEN1 (0.50) CA2MEN1KMT2ACA1CA9
SCHEMBL5633126 0.88 MEN1 (0.50) CA2MEN1KMT2ACA1CA9
SCHEMBL15093521 0.84 SMN1; SMN2 (0.42) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL5629971 0.84 IDO1 (0.46) CA2CA1CA9CA7CA12
SCHEMBL14462337 0.84 MEN1 (0.51) CA2MEN1KMT2ACA1CA9
SCHEMBL5630911 0.84 IDO1 (0.43) CA2MEN1KMT2ALMNAMAPT

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
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-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 CA2 2163/4885MEN1 1163/4885KMT2A 545/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT CA2 2163/4885MEN1 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.