SCHEMBL5526009

SCHEMBL5526009

Cc1cc2c(cc1Br)NC(=O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 7/20 1.00
BCHE P06276 1/20 1.00
TGM2 P21980 6/20 0.52
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
ALDH1A1 P00352 3/20 0.49
ALDH2 P05091 1/20 0.49
ALDH3A1 P30838 1/20 0.49
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
DAO P14920 1/20 0.39
CAPN9 O14815 1/20 0.39
CASP3 P42574 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3739025 0.92 CES1 (0.86) CES1BCHETGM2PDE3BPDE3A
SCHEMBL30107213 0.92 CES1 (0.86) CES1BCHETGM2PDE3BPDE3A
SCHEMBL4737998 0.84 CES1 (0.71) CES1BCHETGM2PDE3BPDE3A
SCHEMBL2267095 0.84 CES1 (0.71) CES1BCHETGM2PDE3BPDE3A
SCHEMBL11024504 0.80 BCHE (0.67) CES1BCHEALDH1A1CA1CA2
SCHEMBL11024507 0.80 BCHE (0.67) CES1BCHEALDH1A1CA1CA2
SCHEMBL11890546 0.80 BCHE (0.67) CES1BCHEALDH1A1CA1CA2
SCHEMBL7823471 0.78 CES1 (0.64) CES1BCHETGM2ALDH1A1ALDH2
SCHEMBL5528413 0.77 CES1 (0.62) CES1BCHETGM2PDE3BPDE3A
SCHEMBL18256571 0.77 CES1 (0.71) CES1BCHETGM2ALDH1A1ALDH2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111574426-A Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer 湘潭大学 2020-08-25 CN claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
CN-113912609-B Preparation method of natural alkaloid tryptanthrin and derivatives thereof 江苏大学 2024-01-05 CN disclosed
CN-113912609-A Preparation method of natural alkaloid tryptanthrin and derivative thereof 江苏大学 2022-01-11 CN disclosed
US-20070276025-A1 Indirubin-Type Compounds, Compositions, and Methods for Their Use MEIJER LAURENT 2007-11-29 US disclosed
EP-1686988-A1 INDIRUBIN-TYPE COMPOUNDS, COMPOSITIONS, AND METHODS FOR THEIR USE THE ROCKEFELLER UNIVERSITY (US) 2006-08-09 EP disclosed
WO-2005041954-A1 INDIRUBIN-TYPE COMPOUNDS, COMPOSITIONS, AND METHODS FOR THEIR USE THE ROCKEFELLER UNIVERSITY (US) 2005-05-12 WO disclosed
EP-0637300-B1 ANTIPROLIFERATIVE QUINAZOLINES AGOURON PHARMA (US) 2001-09-05 EP disclosed
US-5885996-A AN ENZYME INHIBITORS OF THYMIDYLATE SYNTHASE WORKS AS BACTERICIDES, FUNGICIDES INHIBITING YEASTS, FUNGI AGOURON PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
US-5707992-A MICROBIOCIDES, ANTITUMOR AGENTS AGOURON PHARMACEUTICALS, INC. (US) 1998-01-13 US disclosed
US-5430148-A Antiproliferative quinazolines AGOURON PHARMACEUTICALS, INC. (US) 1995-07-04 US disclosed
EP-0637300-A1 ANTIPROLIFERATIVE QUINAZOLINES AGOURON PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed
WO-1993020055-A1 ANTIPROLIFERATIVE QUINAZOLINES AGOURON PHARMACEUTICALS, INC. (US) 1993-10-14 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 (1 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-20070276025-A1 Indirubin-Type Compounds, Compositions, and Methods for Their Use CDK3, GSK3B, CDK7 CES1 1902/4885BCHE 271/4885TGM2 1705/4885

“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.