SCHEMBL3465985

SCHEMBL3465985

COc1cc(Br)ccc1C(=O)CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GSK3B P49841 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PARP15 Q460N3 1/20 0.43
GPR27 Q9NS67 1/20 0.42
CLK1 P49759 1/20 0.42
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL29689302 0.86 HMGCR (0.53) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL83056 0.86 HPGDS (0.55) HPGDSKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3484392 0.86 HMGCR (0.53) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL22341116 0.86 KMT2A (0.44) HPGDSKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL20855611 0.85 KMT2A (0.44) HPGDSKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL21582038 0.83 KDM4E (0.46) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL1445631 0.83 KMT2A (0.49) HPGDSKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5057172 0.83 KDM4E (0.50) HPGDSKMT2AMEN1GSK3BSMN1; SMN2
SCHEMBL29688737 0.83 KMT2A (0.49) HPGDSKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL21755483 0.83 MEN1 (0.63) HPGDSKMT2AMEN1GSK3BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3928836-B1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-09-18 EP disclosed
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US disclosed
EP-3377483-B9 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-03 EP disclosed
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-06-09 US disclosed
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-02-08 US disclosed
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 US disclosed
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-01-20 US disclosed
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 EP disclosed
CN-113164444-A DOCK1 inhibiting compounds and uses thereof 国立大学法人九州大学 2021-07-23 CN disclosed
EP-1802621-A1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO SB Pharmco Puerto Rico Inc. (PR) 2007-07-04 EP disclosed
WO-2006044821-A1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO SB PHARMCO PUERTO RICO INC. (PR) 2006-04-27 WO disclosed
US-6949536-B2 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER, INC. (US) 2005-09-27 US disclosed
US-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents PFIZER INC. 2004-08-12 US disclosed
EP-1086097-B1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER (US) 2004-05-19 EP disclosed
US-6727238-B2 CYCLOOXYGENASE INHIBITORS PFIZER INC. 2004-04-27 US disclosed
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2003-12-04 US disclosed
US-6608095-B2 Sulfonylbenzene and sulfonamidobenzene compounds which inhibit COX-2; treatment of a medical condition in which prostaglandins are implicated as pathogens PFIZER INC. 2003-08-19 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6294558-B1 ANTIINFLAMMATORY AGENTS AND PROSTAGLANTINS PFIZER INC. 2001-09-25 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 (7 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-20040157824-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 HPGDS 94/4885KMT2A 3170/4885MEN1 4343/4885
US-20220175775-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 HPGDS 192/4885KMT2A 2262/4885MEN1 2595/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 HPGDS 192/4885KMT2A 2262/4885MEN1 2595/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 HPGDS 92/4885KMT2A 2993/4885MEN1 4451/4885
US-20220017486-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF DOCK2, DOCK11, DOCK5 HPGDS 3296/4885KMT2A 1929/4885MEN1 1727/4885
US-11241431-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 HPGDS 192/4885KMT2A 2262/4885MEN1 2595/4885
US-20030225064-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGS1, PTGER1 HPGDS 94/4885KMT2A 3170/4885MEN1 4343/4885

“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.