SCHEMBL73543

SCHEMBL73543

c1ccc2[nH]c(C3CC3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
FLT3 P36888 1/20 0.42
CYP2A6 P11509 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 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
SCHEMBL3640169 0.92 AOC3 (0.44) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL10441226 0.90 AOC3 (0.42) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29688552 0.89 MAOB (0.49) AOC3MAPTSLC6A3SLC6A4MAOB
SCHEMBL1237690 0.89 MAOB (0.49) AOC3MAPTSLC6A3SLC6A4MAOB
SCHEMBL5584506 0.87 AOC3 (0.40) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL7203954 0.84 HRH4 (0.53) CHRNA7
SCHEMBL6087786 0.84 SMYD3 (0.42) AOC3NPC1RAB9ALOXL2FLT3
Hydrochloric Acid SCHEMBL8023167 0.83 SLC6A3 (0.38) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL7968720 0.82 HTR2A (0.47) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL12993141 0.82 CYP2A6 (0.44) FLT3CYP2A6CHRNA7SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198888-A 2,3a-disubstituted-3H-pyrazole[1,5-a]indole-4(3aH)-ketone, derivative and synthetic method of 2,3a-disubstituted-3H-pyrazole[1,5-a]indole-4(3aH)-ketone and derivative UNIV XIANGTAN 2015-12-30 CN claimed
EP-1585751-A4 PEPTIDE DEFORMYLASE ACTIVATED PRODRUGS CELMED ONCOLOGY USA INC (CA) 2008-08-13 EP claimed
JP-2006514009-A 2006-04-27 JP claimed
US-20060063743-A1 Peptide deformylase activated prodrugs BALLATORE CARLO 2006-03-23 US claimed
EP-1585751-A2 PEPTIDE DEFORMYLASE ACTIVATED PRODRUGS Celmed Oncology (USA), Inc. (CA) 2005-10-19 EP claimed
US-20040236096-A1 Peptide deformylase activated prodrugs NEWBIOTICS, INC. 2004-11-25 US claimed
WO-2004043400-A2 PEPTIDE DEFORMYLASE ACTIVATED PRODRUGS CELMED ONCOLOGY (USA), INC. (CA) 2004-05-27 WO claimed
US-12509441-B2 Compounds used as kinase inhibitors and application thereof TYK MEDICINES (ZHENGZHOU), INC. (CN) 2025-12-30 US disclosed
CN-119019383-A Compounds used as kinase inhibitors and application thereof 郑州同源康医药有限公司 2024-11-26 CN disclosed
CN-118662655-A Compound, pharmaceutical composition, preparation method and application thereof 安迪高生物制药有限公司 2024-09-20 CN disclosed
CN-118420511-A Synthesis method of 2-alkyl indole 南京工业大学 2024-08-02 CN disclosed
CN-115175902-B Compounds used as kinase inhibitors and application thereof 郑州同源康医药有限公司 2024-07-26 CN disclosed
CN-113179640-B Nitrogen-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-25 CN disclosed
WO-1998025898-A1 SECO PRECURSORS OF CYCLOPROPYLINDOLINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-18 WO disclosed
WO-1998011101-A2 CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-19 WO disclosed
US-5646298-A Cyclopropylindole prodrugs PROCORON, INC. (US) 1997-07-08 US disclosed
US-5646298-A Cyclopropylindole prodrugs PROCORON, INC. (US) 1997-07-08 US disclosed
US-5646298-A Cyclopropylindole prodrugs PROCORON, INC. (US) 1997-07-08 US disclosed
WO-1997007101-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1997-02-27 WO disclosed
WO-1997007097-A1 CYCLOPROPYLINDOLES AND THEIR SECO PRECURSORS, AND THEIR USE AS PRODRUGS AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND INC. (NZ) 1997-02-27 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 (3 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-12509441-B2 Compounds used as kinase inhibitors and application thereof ERBB2, ERBB3, BRAF AOC3 3992/4885NPC1 1446/4885RAB9A 637/4885
US-20060063743-A1 Peptide deformylase activated prodrugs DNPEP, DPEP1, PEPD AOC3 3535/4885NPC1 2823/4885RAB9A 1928/4885
US-20040236096-A1 Peptide deformylase activated prodrugs DNPEP, DPEP1, PEPD AOC3 3523/4885NPC1 2399/4885RAB9A 2041/4885

“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.