SCHEMBL298250

SCHEMBL298250

O=C(CN1C=CCC(c2cc(COc3ccccc3)n[nH]2)=C1)c1ccc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ACHE P22303 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
GRM5 P41594 3/20 0.35
CBX7 O95931 2/20 0.34
CDYL2 Q8N8U2 2/20 0.34
CDYL Q9Y232 2/20 0.34
CDY1; CDY1B Q9Y6F8 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
PTPN1 P18031 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
SCHEMBL298688 0.83 ALDH1A1 (0.38) KDM4EACHEALDH1A1LMNAHPGD
SCHEMBL662688 0.82 ALDH1A1 (0.35) KDM4EALDH1A1LMNAHPGDNPC1
SCHEMBL661116 0.80 POLB (0.38) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL660685 0.67 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9589188 0.65 PTPN1 (0.59) KDM4EALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9936997 0.61 HPGDS (0.50) GPBAR1CYSLTR1
SCHEMBL4866787 0.61 ACHE (0.67) KDM4EACHEALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3842041 0.60 ACHE (0.66) KDM4EACHEALDH1A1NPC1PTPN1
SCHEMBL13426115 0.60 SOD1 (0.49) CYSLTR1
SCHEMBL9900670 0.60 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2GRM5HTT

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
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 GPBAR1 2906/4885KDM4E 2916/4885ACHE 356/4885

“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.