SCHEMBL1000331

SCHEMBL1000331

O=C(O)c1ccc2cc(Br)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.56
BACE1 P56817 1/20 0.52
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MCL1 Q07820 1/20 0.44
HTT P42858 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
PIM1 P11309 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPN1 P18031 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
ABCG2 Q9UNQ0 1/20 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
SCHEMBL3365551 0.87 MGAM (0.58) MGAMBACE1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13791878 0.84 BACE1 (0.50) MGAMBACE1ALDH1A1SMN1; SMN2HDAC1
SCHEMBL262639 0.84 BACE1 (0.50) BACE1ALDH1A1SMN1; SMN2HTTHDAC1
SCHEMBL16093684 0.84 BACE1 (0.55) BACE1ALDH1A1KDM4ESMN1; SMN2HDAC1
Hydrochloric Acid SCHEMBL3880519 0.82 BACE1 (0.49) MGAMBACE1ALDH1A1SMN1; SMN2HDAC1
SCHEMBL1128619 0.82 CNR2 (0.66) MGAMBACE1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1293647 0.81 BACE1 (0.47) MGAMBACE1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL12405037 0.80 MGAM (0.63) MGAMALDH1A1KDM4ESMN1; SMN2ALOX15
SCHEMBL2004085 0.80 ABCG2 (0.55) BACE1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2723291 0.80 BACE1 (0.46) BACE1ALDH1A1SMN1; SMN2HTTHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947720-B Design, preparation and application of beta 3 adrenergic receptor anchoring probe 南京师范大学 2024-03-29 CN claimed
CN-115947720-A Design of beta 3 adrenergic receptor anchoring probe and preparation method and application thereof 南京师范大学 2023-04-11 CN claimed
CN-114426534-B Reversible fluorescent probe for detecting copper ions and preparation method thereof 南京师范大学 2023-01-31 CN claimed
CN-114426534-A Reversible fluorescent probe for detecting copper ions and preparation method thereof 南京师范大学 2022-05-03 CN claimed
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 CN disclosed
CN-115947720-B Design, preparation and application of beta 3 adrenergic receptor anchoring probe 南京师范大学 2024-03-29 CN disclosed
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2024-02-29 US disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 WO disclosed
WO-2023231948-A1 ISR INHIBITORS, METHOD FOR PREPARING SAME, AND USE THEREOF 中国药科大学 2023-12-07 WO disclosed
CN-116874468-A Synthesis and application of small molecular compound with 2-pyridine substituted formamide structure 江西中医药大学 2023-10-13 CN disclosed
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES. INC. 2005-10-27 US disclosed
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. 2005-09-22 US disclosed
CN-1649885-A Cellular Accumulation of Phosphonate Analogs of HIV Protease Inhibitor Compounds and Such Compounds GILEAD SCIENCES INC (US) 2005-08-03 CN disclosed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US disclosed
WO-2005064008-A1 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-07-14 WO disclosed
EP-1509537-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2005-03-02 EP disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 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-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 MGAM 2908/4885BACE1 1242/4885ALDH1A1 3253/4885
US-20050209197-A1 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds PPA1, PPME1, PNP MGAM 370/4885BACE1 249/4885ALDH1A1 3361/4885
US-20050239054-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS MGAM 138/4885BACE1 544/4885ALDH1A1 3232/4885
US-20240067632-A1 WEE1 Degrading Compounds and Uses Thereof WEE1, WEE2, PPME1 MGAM 1320/4885BACE1 2266/4885ALDH1A1 3122/4885

“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.