SCHEMBL2350027

SCHEMBL2350027

O=C(Cn1cccc(O)c1=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ PAX8 Q06710 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ IL1RN P18510 2/20 0.47
▸ ERAP2 Q6P179 2/20 0.47
▸ ERAP1 Q9NZ08 2/20 0.47
▸ PDK1 Q15118 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ EGLN1 Q9GZT9 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ VEGFA P15692 1/20 0.43

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
SCHEMBL619845 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL5179205 0.73 EGLN1 (0.53) ALDH1A1IL1RNERAP2ERAP1MEN1
SCHEMBL9471902 0.72 NPC1 (0.63) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL272388 0.72 EGLN1 (0.75) ALDH1A1SMN1; SMN2HTTRAB9AIL1RN
SCHEMBL5144036 0.70 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL5144037 0.70 NPC1 (0.71) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL1927016 0.69 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL13036960 0.69 EGLN1 (0.51) ALDH1A1SMN1; SMN2IL1RNERAP2ERAP1
SCHEMBL5452605 0.69 NPC1 (1.00) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL9471518 0.69 NPC1 (0.69) ALDH1A1SMN1; SMN2HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008510-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 — — US disclosed
US-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 — — US disclosed
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 — — US disclosed
US-7705164-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-27 — — US disclosed
US-20090286987-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2009-11-19 — — US disclosed
US-7579486-B2 Metalloprotein inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2009-08-25 — — US disclosed
US-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 — — US disclosed
US-20070117848-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO 2007-05-24 — — 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 (4 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-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885SMN1; SMN2 3424/4885HTT 4294/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 ALDH1A1 918/4885SMN1; SMN2 3424/4885HTT 4294/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885SMN1; SMN2 3424/4885HTT 4294/4885
US-20070117848-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALDH1A1 918/4885SMN1; SMN2 3424/4885HTT 4294/4885

“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.

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