SCHEMBL297066

SCHEMBL297066

O=C(CN1C=CCC(c2cc(Cc3ccccc3)n[nH]2)=C1)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 3/20 0.35
CASP1 P29466 1/20 0.35
TSHR P16473 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL661697 0.86 DAO (0.35) HTTALDH1A1KDM4ETSHRMAPT
SCHEMBL297726 0.85 MAPT (0.38) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL298661 0.84 KMT2A (0.37) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL298287 0.83 PARG (0.34) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL299464 0.83 KMT2A (0.35) NPSR1MEN1KMT2AALDH1A1TSHR
SCHEMBL27871675 0.81 KMT2A (0.33) MEN1KMT2ATSHRL3MBTL1
SCHEMBL299223 0.79 DRD4 (0.34) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL660037 0.78 NPC1 (0.36) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL287429 0.78 NPSR1 (0.36) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL287279 0.76 GRM5 (0.39) SMN1; SMN2NPSR1KMT2AALDH1A1KDM4E

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 SMN1; SMN2 640/4885HTT 75/4885NPSR1 3243/4885

“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.