SCHEMBL3406516

SCHEMBL3406516

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
POLB P06746 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
SCHEMBL3406497 0.89 LDHA (0.34) NPC1MITFPOLBAPEX1RAB9A
SCHEMBL3401792 0.89 EPHX2 (0.39) EPHX2L3MBTL1
SCHEMBL3405793 0.87 POLB (0.36) MAPTPOLBRAB9AEPHX2LDHA
SCHEMBL3404471 0.86 CA1 (0.41) ALDH1A1NPC1RAB9A
SCHEMBL3406660 0.85 KMT2A (0.34) MAPTALDH1A1NPC1EPHX2LDHA
SCHEMBL3405883 0.85 CYP1A2 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19NPC1
SCHEMBL3407695 0.83 KMT2A (0.38) BCHEMAPTRAB9AABL1EPHX2
SCHEMBL3404890 0.83 MAPK1 (0.37) HDAC6ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3408842 0.82 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL3406379 0.82 HSD17B10 (0.37) HDAC3HDAC1LDHALTA4H

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 BCHE 1263/4885HDAC3 439/4885HDAC4 1331/4885

“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.