Sugi Predict

Sugi Predict / Compounds / SCHEMBL876560

SCHEMBL876560

SCHEMBL876560

O=C(O)C(Br)CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MMP2 P08253 7/20 0.52
▸ MMP9 P14780 7/20 0.52
▸ CA12 O43570 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPT P10636 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ HDAC1 Q13547 3/20 0.48
▸ HDAC7 Q8WUI4 3/20 0.48

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
SCHEMBL6954199 0.90 HDAC7 (0.52) SMN1; SMN2MMP2MMP9CA12CA9
SCHEMBL7898753 0.90 HDAC7 (0.52) SMN1; SMN2MMP2MMP9CA12CA9
SCHEMBL3359985 0.90 HDAC7 (0.52) SMN1; SMN2MMP2MMP9CA12CA9
SCHEMBL6510657 0.89 HDAC1 (0.58) SMN1; SMN2MMP2MMP9CA12CA9
SCHEMBL6966437 0.89 HDAC1 (0.58) SMN1; SMN2MMP2MMP9CA12CA9
SCHEMBL10667117 0.88 HDAC1 (0.56) SMN1; SMN2ALDH1A1HDAC1HDAC7
SCHEMBL10666776 0.88 HDAC1 (0.56) SMN1; SMN2ALDH1A1HDAC1HDAC7
SCHEMBL1435917 0.85 ALDH1A1 (0.50) MMP2MMP9CA12CA9ALDH1A1
SCHEMBL30852760 0.85 ALDH1A1 (0.50) MMP2MMP9CA12CA9ALDH1A1
SCHEMBL7080833 0.84 ALDH1A1 (0.58) SMN1; SMN2MMP2MMP9CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2023-12-21 — — US disclosed
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO HEALTH, INC. (US) 2022-08-16 — — US disclosed
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2021-05-13 — — US disclosed
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 — — US disclosed
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS VALO HEALTH, INC. 2019-10-10 — — US disclosed
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2019-08-06 — — US disclosed
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2018-12-13 — — US disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 — — US disclosed
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-07-24 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
US-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS Valo Health, LLC 2017-03-09 — — US disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
WO-2017040963-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2017-03-09 — — WO disclosed
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 — — EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 — — WO disclosed
WO-2009102537-A1 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2009-08-20 — — WO disclosed
WO-2009102537-A1 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2009-08-20 — — WO disclosed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 — — US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 — — 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 (10 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-20170066729-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 SMN1; SMN2 3209/4885MMP2 414/4885MMP9 733/4885
US-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 SMN1; SMN2 3733/4885MMP2 723/4885MMP9 859/4885
US-20230406830-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 SMN1; SMN2 3209/4885MMP2 414/4885MMP9 733/4885
US-20210139439-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 SMN1; SMN2 3209/4885MMP2 414/4885MMP9 733/4885
US-20180354919-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 SMN1; SMN2 3209/4885MMP2 414/4885MMP9 733/4885
US-10370343-B2 [6,6] Fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 SMN1; SMN2 3209/4885MMP2 414/4885MMP9 733/4885
US-11414392-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 SMN1; SMN2 3209/4885MMP2 414/4885MMP9 733/4885
US-20190308946-A1 [6,6] FUSED BICYCLIC HDAC8 INHIBITORS HDAC8, HDAC3, HDAC2 SMN1; SMN2 3209/4885MMP2 414/4885MMP9 733/4885
US-10829460-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC1, HDAC2 SMN1; SMN2 1525/4885MMP2 356/4885MMP9 632/4885
US-10029995-B2 [6,6] fused bicyclic HDAC8 inhibitors HDAC8, HDAC3, HDAC2 SMN1; SMN2 3209/4885MMP2 414/4885MMP9 733/4885

“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.