SCHEMBL298742

SCHEMBL298742

O=C(CN1C=CCC(c2cc(Cc3ccccc3)n(-c3ccccn3)n2)=C1)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.35
CTNNB1 P35222 1/20 0.35
ALDH1A1 P00352 9/20 0.34
KDM4E B2RXH2 6/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM5A P29375 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
HPGD P15428 3/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 2/20 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
SCHEMBL287279 0.89 GRM5 (0.39) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL287429 0.77 NPSR1 (0.36) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL287891 0.76 ALDH1A1 (0.34) ALDH1A1LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL297985 0.74 MAPT (0.35) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL661852 0.73 CTNNB1 (0.34) CACNA2D1CTNNB1ALDH1A1KDM4ELMNA
SCHEMBL297066 0.73 SMN1; SMN2 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27871788 0.72 SMN1; SMN2 (0.34) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL298661 0.70 KMT2A (0.37) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL660685 0.69 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAMAPTMEN1
SCHEMBL297726 0.69 MAPT (0.38) ALDH1A1KDM4ELMNAMAPTMEN1

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 CACNA2D1 4328/4885CTNNB1 3236/4885ALDH1A1 676/4885

“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.