SCHEMBL3969030

SCHEMBL3969030

COC(CSc1cccc(Br)c1)OC

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.63
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
MAOB P27338 4/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 1/20 0.33
IDO1 P14902 1/20 0.33
AGXT P21549 1/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1868023 0.83 MAOA (0.59) MAOACA1CA2CA4CA7
SCHEMBL7422121 0.81 MAOA (0.40) MAOAMTNR1AMTNR1BMAOBALDH1A1
SCHEMBL31181340 0.79 MTNR1A (0.57) CA1CA2CA7CA9MTNR1A
SCHEMBL11560772 0.79 MTNR1A (0.40) MAOACA2CA9MTNR1AMTNR1B
SCHEMBL7214204 0.79 MAOA (0.39) MAOAMTNR1AMTNR1BMAOBALDH1A1
SCHEMBL4392690 0.79 GRM5 (0.40) MAOAMTNR1AMTNR1BMAPTL3MBTL1
SCHEMBL16295456 0.79 MTNR1A (0.57) CA1CA2CA7CA9MTNR1A
SCHEMBL573866 0.78 MAOA (0.58) MAOACA1CA2CA4CA7
SCHEMBL3224927 0.77 MAOA (0.55) MAOAMTNR1AMTNR1BMAOBALDH1A1
SCHEMBL1710499 0.77 MAOA (0.65) MAOACA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294212-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2019-05-21 US disclosed
CN-105209449-B Inhibitors of the kynurenine pathway 库拉德夫制药私人有限公司 2019-02-01 CN disclosed
EP-2970173-B1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD (IN) 2018-05-09 EP disclosed
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PVT LTD 2018-02-01 US disclosed
US-9815811-B2 Inhibitors of the kynurenine pathway CURADEV PHARMA, PVT. LTD. (IN) 2017-11-14 US disclosed
US-9676901-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676901-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9676901-B2 Conjugated polymers MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY CURADEV PHARMA PRIVATE LTD. (IN) 2016-02-18 US disclosed
EP-2970173-A1 INHIBITORS OF THE KYNURENINE PATHWAY Curadev Pharma Private Ltd. (IN) 2016-01-20 EP disclosed
WO-2013159862-A1 CONJUGATED POLYMERS MERCK PATENT GMBH (DE) 2013-10-31 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
WO-2009026345-A1 THIAZOLIDINONE COMPOUNDS, AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-02-26 WO disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 US disclosed
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 EP disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 US disclosed
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 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 (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-10294212-B2 Inhibitors of the kynurenine pathway IDO1, IDO2, KYNU MAOA 11/4885CA1 1445/4885CA2 1670/4885
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 MAOA 978/4885CA1 2723/4885CA2 3142/4885
US-20180030026-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, IDO2, KYNU MAOA 11/4885CA1 1445/4885CA2 1670/4885
US-20160046596-A1 INHIBITORS OF THE KYNURENINE PATHWAY IDO1, KYNU, IDO2 MAOA 11/4885CA1 1280/4885CA2 1639/4885

“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.