SCHEMBL287147

SCHEMBL287147

O=C(NNC(=O)c1cccnc1)C1=CN(CC(=O)c2cccs2)C=CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.47
LMNA P02545 5/20 0.45
HTT P42858 4/20 0.44
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PTBP1 P26599 1/20 0.40
KLF5 Q13887 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL661571 0.88 RAB9A (0.52) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL661687 0.88 ERCC5 (0.43) KMT2AALDH1A1GAAMAPTMEN1
SCHEMBL660111 0.86 RAB9A (0.46) KMT2AALDH1A1GAAMAPTMEN1
SCHEMBL27871728 0.84 TDP1 (0.43) KMT2AALDH1A1GAAMEN1NPC1
SCHEMBL27871718 0.84 ERCC5 (0.43) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL660571 0.82 TDP1 (0.41) KMT2AALDH1A1MEN1MAPK1L3MBTL1
SCHEMBL662005 0.82 NPC1 (0.40) KMT2AALDH1A1GAAMEN1LMNA
SCHEMBL7799733 0.81 ALDH1A1 (0.42) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL286969 0.79 ALDH1A1 (0.42) KMT2AALDH1A1GAAKDM4EMEN1
SCHEMBL660856 0.79 CTNNB1 (0.40) ALDH1A1GAALMNAHTTSMN1; SMN2

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
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT KMT2A 4512/4885ALDH1A1 676/4885GAA 194/4885

“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.