SCHEMBL298661

SCHEMBL298661

O=C(CN1C=CCC(c2cc(C3=CN(CC(=O)c4cccs4)C=CC3)[nH]n2)=C1)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
MAPT P10636 2/20 0.37
NFKB1 P19838 1/20 0.37
AHR P35869 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
GSK3B P49841 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL297726 0.92 MAPT (0.38) KMT2AMEN1MAPTNFKB1AHR
SCHEMBL297066 0.84 SMN1; SMN2 (0.37) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL660685 0.82 ALDH1A1 (0.40) KMT2AMEN1MAPTNFKB1NFKB2
SCHEMBL661076 0.81 ALDH1A1 (0.33) MAPTALDH1A1MAPK1TSHRHTT
SCHEMBL661697 0.80 DAO (0.35) MAPTALDH1A1MAPK1TSHRHTT
SCHEMBL661279 0.80 HPGD (0.37) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL298287 0.78 PARG (0.34) KMT2AMEN1MAPTAHRALDH1A1
SCHEMBL287109 0.75 MAPT (0.37) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL287429 0.75 NPSR1 (0.36) KMT2AMEN1MAPTNFKB1NFKB2
SCHEMBL299464 0.75 KMT2A (0.35) KMT2AMEN1MAPTALDH1A1MAPK1

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 3 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
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 4512/4885MEN1 1455/4885MAPT 61/4885

“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.