SCHEMBL6158399

SCHEMBL6158399

Cc1ccc(Oc2ccc(CN3C[C@@H](O)CC3=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
EGLN1 Q9GZT9 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
RXFP3 Q9NSD7 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL6157546 0.88 HPGD (0.50) SMN1; SMN2EGLN1HTT
SCHEMBL6162343 0.88 S1PR5 (0.52) SMN1; SMN2ALDH1A1L3MBTL1EGLN1CYP3A4
SCHEMBL6157539 0.88 HPGD (0.50) SMN1; SMN2EGLN1HTT
SCHEMBL6159065 0.88 HPGD (0.50) SMN1; SMN2EGLN1HTT
SCHEMBL6162336 0.88 S1PR5 (0.52) SMN1; SMN2ALDH1A1L3MBTL1EGLN1CYP3A4
SCHEMBL6161609 0.86 HTT (0.58) SMN1; SMN2ALDH1A1CYP3A4CYP2C19HTT
Hydrochloric Acid SCHEMBL6159995 0.85 APEX1 (0.42) SMN1; SMN2ALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL6158771 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1EGLN1
SCHEMBL6158563 0.83 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1L3MBTL1CYP3A4CYP2C19
SCHEMBL6158475 0.82 TDP1 (0.55) SMN1; SMN2ALDH1A1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1270577-A1 FUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-01-02 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 (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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 SMN1; SMN2 3819/4885ALDH1A1 905/4885HSD17B10 520/4885
US-20040092582-A1 Furoisoquinoline derivatives, process for producing the same and use thereof PDE3B, PDE5A, PDE3A SMN1; SMN2 4678/4885ALDH1A1 572/4885HSD17B10 944/4885

“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.