SCHEMBL137546

SCHEMBL137546

O=Cc1cc(Br)ccc1I

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.57
CYP2A6 P11509 3/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.43
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIM3 Q86V86 2/20 0.37
PIM1 P11309 1/20 0.36
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MCL1 Q07820 1/20 0.34
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
S100A4 P26447 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
SCHEMBL2549468 0.82 ERN1 (0.52) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL2564460 0.81 ERN1 (0.40) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL2564464 0.81 ERN1 (0.40) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL3040456 0.78 ERN1 (0.64) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL16955573 0.77 ERN1 (0.42) ERN1CYP2A6PTGDR2ALDH1A1CA12
SCHEMBL16956615 0.77 ERN1 (0.38) ERN1CYP2A6ALDH1A1CA12CA9
SCHEMBL203395 0.76 ERN1 (0.61) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL414267 0.76 ERN1 (0.61) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL16765589 0.74 ERN1 (0.59) ERN1CYP2A6PTGDR2PTPN1ALDH1A1
SCHEMBL14416446 0.74 HPGD (0.35) ERN1ALDH1A1CA12CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021038581-A1 A ONE STEP SYNTHESIS OF 2-SUBSTITUTED BENZO[B]THIOPHENES INDIAN INSTITUTE OF TECHNOLOGY MADRAS (IIT Madras) (IN) 2021-03-04 WO claimed
US-20260092057-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS INC (US) 2026-04-02 US disclosed
EP-4688785-A1 5-AMINO-6, 8-DIHYDRO-1H-FURO [3, 4-D] PYRROLO [3, 2-B] PYRIDINE-2-CARBOXAMIDE DERIVATIVES AS MTA-COOPERATIVE INHIBITORS OF PRMT5 Beone Medicines I GmbH (CH) 2026-02-11 EP disclosed
EP-4051667-B1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS LILAC THERAPEUTICS INC (US) 2026-01-28 EP disclosed
US-20250333429-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS INC (US) 2025-10-30 US disclosed
EP-4622981-A1 MODULATORS OF TNF-ALPHA ACTIVITY Forward Therapeutics, Inc. (US) 2025-10-01 EP disclosed
US-12384808-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2025-08-12 US disclosed
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 EP disclosed
CN-114929676-B Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2025-04-29 CN disclosed
CN-115611883-B PI3K alpha inhibitor with double-ring structure, and preparation method and application thereof 生物岛实验室 2025-03-28 CN disclosed
US-20050272728-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBVIE INC. 2005-12-08 US disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 US disclosed
WO-2005113551-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 US disclosed
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBOTT LABORATORIES 2005-11-17 US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO disclosed
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 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 (9 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-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 ERN1 4165/4885CYP2A6 1180/4885PTGDR2 219/4885
US-20050272728-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 ERN1 3904/4885CYP2A6 1397/4885PTGDR2 266/4885
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 ERN1 3904/4885CYP2A6 1397/4885PTGDR2 266/4885
US-12384808-B2 Modulators of TNF-α activity TNF, NFKBIA, TNFRSF1A ERN1 468/4885CYP2A6 3968/4885PTGDR2 1764/4885
US-20260092057-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF BCL2L2, BCL2A1, BCL2L1 ERN1 1059/4885CYP2A6 607/4885PTGDR2 534/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 ERN1 4165/4885CYP2A6 1180/4885PTGDR2 219/4885
US-20250333429-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, NFKBIA, TNFRSF1A ERN1 490/4885CYP2A6 3968/4885PTGDR2 1410/4885
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ERN1 3534/4885CYP2A6 1362/4885PTGDR2 282/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 ERN1 3490/4885CYP2A6 1232/4885PTGDR2 294/4885

“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.