SCHEMBL287222

SCHEMBL287222

O=C(CN1C=CCC(c2cc(COc3ccccc3)nn2-c2ccccc2)=C1)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
GRM5 P41594 8/20 0.37
PTGS2 P35354 2/20 0.37
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
MCTS1 Q9ULC4 1/20 0.35
PTGS1 P23219 1/20 0.35
GRM3 Q14832 2/20 0.35
ABL1 P00519 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP1A2 P05177 1/20 0.35
MDM2 Q00987 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL287592 0.88 GRM5 (0.41) GRM5PTGS2SLC16A3SLC16A1MCTS1
SCHEMBL661658 0.85 GRM5 (0.38) ALDH1A1SMN1; SMN2LMNATSHRGRM5
SCHEMBL287276 0.82 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2TSHRGRM5PTGS2
SCHEMBL661119 0.80 FAAH (0.42) GRM5PTGS2SLC16A3SLC16A1MCTS1
SCHEMBL660685 0.78 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNATSHRABL1
SCHEMBL287279 0.75 GRM5 (0.39) ALDH1A1SMN1; SMN2LMNATSHRGRM5
SCHEMBL661852 0.73 CTNNB1 (0.34) ALDH1A1SMN1; SMN2LMNATSHRSLC16A3
SCHEMBL297985 0.70 MAPT (0.35) ALDH1A1SMN1; SMN2LMNATSHRGRM5
SCHEMBL297066 0.69 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2TSHRHPGD
SCHEMBL297726 0.69 MAPT (0.38) ALDH1A1SMN1; SMN2LMNATSHRGRM5

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 6 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
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 ALDH1A1 676/4885SMN1; SMN2 640/4885LMNA 123/4885

“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.