SCHEMBL3408068

SCHEMBL3408068

CN(C(=O)Nc1ccc(C#N)cc1)c1ccc2nc(S)sc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
POLB P06746 3/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
IL18 Q14116 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DYRK1A Q13627 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BLM P54132 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NLRP3 Q96P20 1/20 0.35
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34

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
SCHEMBL3410575 0.86 POLB (0.37) LMNAPOLBRAB9AMAPTKDM4E
SCHEMBL3407264 0.86 KMT2A (0.39) LMNAPOLBRAB9AMAPTMEN1
SCHEMBL3403914 0.86 MAPT (0.38) LMNAPOLBRAB9AMAPTKDM4E
SCHEMBL3406797 0.85 TP53 (0.43) LMNARAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL3410435 0.84 NPC1 (0.42) POLBRAB9AMAPTKDM4EMEN1
SCHEMBL3405799 0.84 MAPT (0.38) LMNAPOLBRAB9AMAPTKDM4E
SCHEMBL3406810 0.84 F2R (0.38) LMNAPOLBRAB9AMAPTKDM4E
SCHEMBL3407910 0.83 MTOR (0.41) POLBRAB9AMAPTMEN1KMT2A
SCHEMBL3403261 0.82 CA1 (0.50) POLBRAB9AMAPTKDM4EMEN1
SCHEMBL3406375 0.80 MAPT (0.37) LMNAPOLBRAB9AMAPTTHRB

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 LMNA 4406/4885POLB 3644/4885RAB9A 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.