SCHEMBL452138

SCHEMBL452138

Fc1ccc(C[Mg]Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
TAAR1 Q96RJ0 3/20 0.42
AGXT P21549 2/20 0.41
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAOB P27338 1/20 0.37
MIF P14174 1/20 0.37
LMNA P02545 1/20 0.37
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
PLAU P00749 1/20 0.36
AOC3 Q16853 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL8840206 0.75 TAAR1 (0.50) IDO1LOXL2TAAR1AGXTMAOB
SCHEMBL467321 0.74 TAAR1 (0.48) IDO1LOXL2TAAR1AGXTPLA2G1B
SCHEMBL14484578 0.74 IDO1 (0.41) IDO1
SCHEMBL5633593 0.74 IDO1 (0.46) IDO1TAAR1AGXTLMNASLC22A2
SCHEMBL4358867 0.74 IDO1 (0.46) IDO1TAAR1AGXTMAOBLMNA
SCHEMBL1768 0.72
Hydrochloric Acid SCHEMBL1003726 0.72 TAAR1 (0.46) IDO1LOXL2TAAR1AGXTPLA2G1B
SCHEMBL1538033 0.72 TAAR1 (0.50) IDO1TAAR1AGXTMAOBMIF
SCHEMBL11155571 0.72 TAAR1 (0.46) IDO1LOXL2TAAR1MAOBLMNA
Bromide SCHEMBL3909821 0.70 TSHR (0.46) IDO1LOXL2TAAR1MAOBSLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO claimed
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 CN claimed
WO-2002048133-A2 A PROCESS FOR THE PREPARATION OF CITALOPRAM C.D. FARMASINT S.R.L. (IT) 2002-06-20 WO claimed
US-6384031-B1 None US disclosed
US-6392040-B1 None US disclosed
WO-2025242747-A1 MULTI -COMPONENT FORMULATIONS OF ORGANOMETALLIC REAGENTS MERCK PATENT GMBH (DE) 2025-11-27 WO disclosed
CN-118908996-A A composition containing C (sp2) P bond or C (sp)3) Process for preparing organic phosphine compound of-P bond 烟台大学 2024-11-08 CN disclosed
US-20240360124-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2024-10-31 US disclosed
CN-118184703-A Synthesis method of alpha-substituted chiral phosphonate compound 中国人民解放军军事科学院防化研究院 2024-06-14 CN disclosed
US-20220017511-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2022-01-20 US disclosed
CN-109071534-B Bromodomain inhibitors 艾伯维公司 2021-11-23 CN disclosed
US-5097047-A Agricultural use, chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
EP-0444276-A2 1,2,4-Triazolyl-propanol derivatives BAYER AG (DE) 1991-09-04 EP disclosed
US-5034052-A Fungicides containing a triazole or imidazole alcohols, also used as plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
US-4990677-A Fungicidal and plant growth-regulating azolylmethyl-cyclopropyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
US-4988819-A 1,2,4-triazolemethyl ketones as chemical intermediates for plant growth regulators or fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4980488-A Fungicidal and plant growth-regulating azolymethyl-cyclopropyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
US-4913727-A Fungicidal and plant growth-regulating azolylmethyl-cyclopropyl derivatives BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
EP-0308781-A2 Antimycotic preparations BAYER AG (DE) 1989-03-29 EP disclosed
EP-0297345-A1 Azolylmethylcyclopropyl derivatives BAYER AG (DE) 1989-01-04 EP 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 (2 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-20220017511-A1 Bromodomain Inhibitors BRD4, BRD3, BRD1 IDO1 1434/4885LOXL2 4145/4885TAAR1 1243/4885
US-20240360124-A1 Bromodomain Inhibitors BRD4, BRD3, BRD1 IDO1 1434/4885LOXL2 4145/4885TAAR1 1243/4885

“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.