SCHEMBL3406880

SCHEMBL3406880

CC(C)CN(C(=O)c1ccc(-c2cc(O)no2)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.32
SMN1; SMN2 Q16637 4/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK14 Q16539 1/20 0.31
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SMPD1 P17405 1/20 0.30

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
SCHEMBL3407715 0.90 SMN1; SMN2 (0.36) HDAC4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3404268 0.87 HPGD (0.34) HDAC4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3405134 0.87 EPHX2 (0.33) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3404648 0.86 HDAC4 (0.34) HDAC4MAPK1ATMTSHR
SCHEMBL3407820 0.85 HDAC4 (0.34) HDAC4SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3402021 0.83 MEN1 (0.31) NPC1KMT2A
SCHEMBL3407676 0.82 TAS2R14 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1MAPK14
SCHEMBL3407823 0.81 ADORA2A (0.39) RAB9AALDH1A1MAPK14MAPK1KDM4E
SCHEMBL3403825 0.80 KDM4E (0.33) SMN1; SMN2ALDH1A1MAPK14KDM4EKMT2A
SCHEMBL3406303 0.79 MLYCD (0.39)

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
EP-1370260-B1 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-11-24 EP claimed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 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 (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-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 HDAC4 1331/4885SMN1; SMN2 3627/4885NPC1 833/4885

“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.