SCHEMBL299464

SCHEMBL299464

O=C(CN1C=CCC(c2cc(Cc3cccs3)n[nH]2)=C1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
APOBEC3G Q9HC16 1/20 0.32
HCAR3 P49019 1/20 0.32
HPGD P15428 2/20 0.32
GRIN2B Q13224 1/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SRC P12931 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 2/20 0.31
CDK2 P24941 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL297066 0.83 SMN1; SMN2 (0.37) KMT2AMEN1HPGDGRIN2BTSHR
SCHEMBL28797884 0.81 MEN1 (0.33) KMT2AMEN1APOBEC3G
SCHEMBL661697 0.77 DAO (0.35) HPGDTSHRALDH1A1MAPTMAPK1
SCHEMBL297726 0.76 MAPT (0.38) KMT2AMEN1GRIN2BTSHRALDH1A1
SCHEMBL298661 0.75 KMT2A (0.37) KMT2AMEN1GRIN2BTSHRALDH1A1
SCHEMBL27871675 0.74 KMT2A (0.33) KMT2AMEN1TSHRL3MBTL1
SCHEMBL287304 0.71 HCAR2 (0.43) HPGDTSHRALDH1A1MAPTMAPK1
SCHEMBL6599925 0.69 KMT2A (0.42) KMT2AMEN1HCAR3HPGDALDH1A1
SCHEMBL298688 0.69 ALDH1A1 (0.38) KMT2AHPGDALDH1A1MAPTLMNA
SCHEMBL27768193 0.69 POLB (0.45) KMT2AMEN1APOBEC3GHCAR3HPGD

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-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US 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 1455/4885APOBEC3G 3738/4885

“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.