SCHEMBL3405799

SCHEMBL3405799

CN(C(=O)Nc1ccncc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
MDM2 Q00987 1/20 0.36
BCHE P06276 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPY5R Q15761 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
EPHX1 P07099 1/20 0.33
GFER P55789 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
TYK2 P29597 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
SCHEMBL3407910 0.86 MTOR (0.41) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3410435 0.86 NPC1 (0.42) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL3407695 0.85 KMT2A (0.38) MAPTSMN1; SMN2RAB9AMDM2BCHE
SCHEMBL3408188 0.85 MAPT (0.39) MAPTMDM2KDM4EL3MBTL1NPY5R
SCHEMBL3408068 0.84 LMNA (0.37) MAPTSMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL3403261 0.83 CA1 (0.50) MAPTRAB9ANPC1KDM4EMEN1
SCHEMBL3403300 0.82 MAPT (0.35) MAPTSMN1; SMN2RAB9AMDM2BCHE
SCHEMBL3407264 0.82 KMT2A (0.39) MAPTSMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL3406254 0.81 LMNA (0.45) SMN1; SMN2RAB9ANPC1KDM4ELMNA
SCHEMBL3405750 0.79 NPC1 (0.35) MAPTSMN1; SMN2RAB9ANPC1LMNA

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-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
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP claimed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 WO 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 MAPT 3030/4885SMN1; SMN2 3627/4885RAB9A 2100/4885

“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.