SCHEMBL1066145

SCHEMBL1066145

O=[N+]([O-])c1cc(-c2cccs2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.60
ABCB1 P08183 2/20 0.53
ABCC1 P33527 1/20 0.53
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
GPR35 Q9HC97 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 4/20 0.46
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 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
SCHEMBL11660607 0.83 ERN1 (0.55) ERN1ABCB1ABCC1L3MBTL1MAPT
SCHEMBL651066 0.81 MAPT (0.64) ERN1ABCB1ALDH1A1TSHRALOX15
SCHEMBL27861810 0.81 ERN1 (0.53) ERN1ABCB1ABCC1ALDH1A1SMN1; SMN2
SCHEMBL29465715 0.79 KCNH2 (0.62) ERN1ABCB1ABCC1MAPK1TSHR
SCHEMBL1065088 0.79 KCNH2 (0.62) ERN1ABCB1ABCC1MAPK1TSHR
SCHEMBL11661845 0.79 ERN1 (0.51) ERN1ABCB1ABCC1ALDH1A1SMN1; SMN2
SCHEMBL29484215 0.79 MAPT (0.67) MAPK1ALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL4368126 0.79 MAPT (0.67) MAPK1ALDH1A1SMN1; SMN2TP53HPGD
SCHEMBL6469120 0.79 MAPT (0.68) ERN1MAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL10945034 0.78 ERN1 (0.50) ERN1ABCB1ABCC1MAPK1TSHR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP disclosed
US-11596691-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2023-03-07 US disclosed
US-11596691-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2023-03-07 US disclosed
US-20210162048-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION 2021-06-03 US disclosed
US-20210162048-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION 2021-06-03 US disclosed
US-10828367-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2020-11-10 US disclosed
US-10828367-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2020-11-10 US disclosed
US-20190070295-A1 Photoswitchable HDAC Inhibitors THE GENERAL HOSPITAL CORPORATION 2019-03-07 US disclosed
US-9981038-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2018-05-29 US disclosed
US-9981038-B2 Photoswitchable HDAC inhibitors THE GENERAL HOSPITAL CORPORATION (US) 2018-05-29 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 ERN1 1510/4885ABCB1 4043/4885ABCC1 3326/4885
US-20190070295-A1 Photoswitchable HDAC Inhibitors HDAC4, HDAC1, HDAC3 ERN1 3731/4885ABCB1 4084/4885ABCC1 4252/4885
US-20210162048-A1 Photoswitchable HDAC Inhibitors HDAC4, HDAC1, HDAC3 ERN1 3731/4885ABCB1 4084/4885ABCC1 4252/4885
US-11596691-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 ERN1 3731/4885ABCB1 4084/4885ABCC1 4252/4885
US-10828367-B2 Photoswitchable HDAC inhibitors HDAC4, HDAC1, HDAC3 ERN1 3731/4885ABCB1 4084/4885ABCC1 4252/4885

“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.