SCHEMBL5431239

SCHEMBL5431239

O=C(Cn1c(=O)oc2ccc(-c3ccncc3)cc21)N1CCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ TSHR P16473 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPSR1 Q6W5P4 4/20 0.46
▸ GLA P06280 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL5425205 0.92 HTT (0.54) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5425137 0.90 AVPR2 (0.52) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5430205 0.81 ALDH1A1 (0.56) HTTALDH1A1POLBMAPT
SCHEMBL28765859 0.73 MAPK1 (0.47) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5414838 0.73 ALDH1A1 (0.59) HTTMEN1KMT2AALDH1A1
SCHEMBL18292700 0.71 POLB (0.78) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL5414934 0.69 GLA (0.53) HTTALDH1A1KDM4EPOLBUSP2
SCHEMBL5418750 0.69 TSPO (0.58) —
SCHEMBL29538698 0.67 ALDH1A1 (0.84) HTTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14426217 0.67 TSPO (0.59) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — US disclosed
EP-1719761-A1 NOVEL HETEROCYCLIC COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-11-08 — — EP 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-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 HTT 2614/4885MEN1 4592/4885KMT2A 2049/4885

“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.

Send feedback