SCHEMBL619845

SCHEMBL619845

O=C(Cn1cccc(OCc2ccccc2)c1=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK14 Q16539 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL2350027 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTNPC1GLA
SCHEMBL8100824 0.81 MAPK14 (0.49) ALDH1A1LMNAMAPTL3MBTL1MAPK14
SCHEMBL20382946 0.79 MAPK14 (0.49) SMN1; SMN2MAPTL3MBTL1MAPK14TDP1
SCHEMBL8106275 0.76 IL1RN (0.49) ALDH1A1HTTNPC1KDM4EMAPT
SCHEMBL9512037 0.74 KDM4E (0.44) ALDH1A1HTTNPC1KDM4EMAPT
SCHEMBL271730 0.74 MAPK14 (0.68) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL621806 0.74 IL1RN (0.45) HTTNPC1KDM4ELMNAMAPT
SCHEMBL8102567 0.74 BRD4 (0.54) ALDH1A1HTTNPC1KDM4EMAPT
SCHEMBL20382952 0.74 MAPK14 (0.47) MAPK14POLBKMT2A
SCHEMBL620077 0.72 MAPK14 (0.41) ALDH1A1SMN1; SMN2HTTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318945-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 — — US disclosed
US-20120041032-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2012-02-16 — — US disclosed
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 (5 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
US-20120041032-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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