SCHEMBL4544348

SCHEMBL4544348

CCc1cc(-c2ccc(OCc3ccccc3)cc2)on1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.59
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
CXCR1 P25024 3/20 0.48
GSTP1 P09211 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPN1 P18031 1/20 0.47
NOTUM Q6P988 1/20 0.47
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46

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
SCHEMBL1566837 0.86 NOTUM (0.66) SMPD1MAPTTDP1RAB9ASMN1; SMN2
SCHEMBL4544345 0.81 SMPD1 (0.59) SMPD1MAPTTDP1RAB9ASMN1; SMN2
SCHEMBL2892084 0.81 SMPD1 (0.59) SMPD1MAPTTDP1RAB9ASMN1; SMN2
SCHEMBL10274629 0.81 NOTUM (0.68) MAPTTDP1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1417062 0.81 SMPD1 (0.65) SMPD1MAPTTDP1RAB9ASMN1; SMN2
SCHEMBL1222200 0.78 SMPD1 (0.77) SMPD1MAPTALDH1A1GSTP1PTPN1
SCHEMBL4544353 0.78 NPC1 (0.56) MAPTRAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL1417136 0.78 SMPD1 (0.56) SMPD1MAPTTDP1RAB9ASMN1; SMN2
SCHEMBL28388709 0.78 SMPD1 (0.68) SMPD1MAPTL3MBTL1MEN1KMT2A
SCHEMBL6029891 0.77 SMPD1 (0.74) SMPD1MAPTSMN1; SMN2ALDH1A1MEN1

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
US-9150563-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-06 US disclosed
US-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-8648103-B2 Nitrogen-containing aromatic heterocyclyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-02-11 US disclosed
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-03 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 (2 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-20140187592-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPC1 SMPD1 347/4885MAPT 4122/4885TDP1 4235/4885
US-20120108639-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLYL COMPOUND NPR1, NPR3, NPPA SMPD1 243/4885MAPT 4291/4885TDP1 4073/4885

“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.