SCHEMBL6499362

SCHEMBL6499362

O=C(O)NCc1cccc(NC(=O)C(=O)Nc2ccc(-c3cnco3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 8/20 0.59
IMPDH1 P20839 4/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 3/20 0.53
PKM P14618 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
ROCK2 O75116 2/20 0.49
PORCN Q9H237 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
NAMPT P43490 2/20 0.45

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
SCHEMBL7552277 0.89 IMPDH2 (0.60) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6496013 0.83 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
Trifluoroacetic Acid SCHEMBL27561206 0.81 IMPDH2 (0.53) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6486557 0.81 IMPDH2 (0.54) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL12344525 0.81 IMPDH2 (0.56) IMPDH2IMPDH1AAK1
SCHEMBL6493937 0.81 IMPDH2 (0.52) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL7543123 0.80 NPC1 (0.56) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6485457 0.80 IMPDH2 (0.56) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL15110902 0.80 VHL (0.54) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL12749611 0.79 NPC1 (0.65) IMPDH2NPC1RAB9AKDM4EPKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed
US-20020052513-A1 Oxamide IMPDH inhibitors HOFFMANN-LA ROCHE INC. 2002-05-02 US disclosed
EP-1127883-A2 Oxamides as IMPDH inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP 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-20020052513-A1 Oxamide IMPDH inhibitors IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885NPC1 1473/4885

“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.