SCHEMBL571591

SCHEMBL571591

O=C(O)CC/C=C/c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.56
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
SLC6A19 Q695T7 1/20 0.49
BACE1 P56817 1/20 0.49
PKM P14618 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PLAAT5 Q96KN8 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP1B1 Q16678 1/20 0.44
TBXAS1 P24557 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PAM P19021 1/20 0.43
ATM Q13315 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL21791369 1.00 HSD17B3 (0.56) HSD17B3MAOAMAOBSLC6A19BACE1
SCHEMBL571592 1.00 HSD17B3 (0.56) HSD17B3MAOAMAOBSLC6A19BACE1
SCHEMBL9232628 0.91 HSD17B3 (0.53) HSD17B3MAOAMAOBSLC6A19BACE1
SCHEMBL9232633 0.91 HSD17B3 (0.53) HSD17B3MAOAMAOBSLC6A19BACE1
SCHEMBL7612524 0.83 PAM (0.65) HSD17B3MAOAMAOBSLC6A19BACE1
SCHEMBL7612527 0.83 PAM (0.65) HSD17B3MAOAMAOBSLC6A19BACE1
SCHEMBL21901276 0.82 SLC6A19 (0.51) HSD17B3MAOAMAOBSLC6A19BACE1
SCHEMBL666894 0.81 PAM (0.64) MAOBALDH1A1CYP2D6TBXAS1MAPT
SCHEMBL1232837 0.81 PAM (0.64) MAOBALDH1A1CYP2D6TBXAS1MAPT
SCHEMBL1231739 0.81 PAM (0.64) MAOBALDH1A1CYP2D6TBXAS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12415803-B2 Fused imidazopyridines as reversible inhibitors of Brutons Tyrosine Kinase (BTK) MERCK PATENT GMBH (DE) 2025-09-16 US disclosed
CN-117567453-A Benzazepine analogs as inhibitors of bruton's tyrosine kinase 渤健马萨诸塞州股份有限公司 2024-02-20 CN disclosed
EP-3609886-B1 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2024-02-07 EP disclosed
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2024-01-02 US disclosed
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2024-01-02 US disclosed
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2024-01-02 US disclosed
EP-4249071-A2 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2023-09-27 EP disclosed
EP-4249071-A2 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2023-09-27 EP disclosed
CN-110621670-B Benzazepine analogs as inhibitors of bruton's tyrosine kinase 比奥根MA公司 2023-09-15 CN disclosed
EP-3444251-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2023-06-07 EP disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
US-20100215616-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-08-26 US disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 US disclosed
US-20090202478-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-08-13 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 (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-20100215616-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HSD17B3 1752/4885MAOA 2242/4885MAOB 1297/4885
US-20090202478-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HSD17B3 1752/4885MAOA 2242/4885MAOB 1297/4885
US-12415803-B2 Fused imidazopyridines as reversible inhibitors of Brutons Tyrosine Kinase (BTK) BTK, SYK, ABL1 HSD17B3 4221/4885MAOA 3594/4885MAOB 2832/4885
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase ABL1, BTK, LYN HSD17B3 2992/4885MAOA 2068/4885MAOB 1204/4885

“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.