SCHEMBL450834

SCHEMBL450834

N#Cc1ccc(C=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGFR P00533 2/20 0.39
CHEK1 O14757 2/20 0.39
KCNJ1 P48048 1/20 0.39
AR P10275 1/20 0.38
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CYP2A6 P11509 2/20 0.34
CYP2A13 Q16696 1/20 0.34
EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL20646152 0.85 CHEK1 (0.42) ALDH1A1KDM4EEGFRCHEK1SMN1; SMN2
SCHEMBL4597870 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EL3MBTL1CHEK1SMN1; SMN2
SCHEMBL9111542 0.79 ALDH1A1 (0.40) ALDH1A1CHEK1ARKCNQ3KCNQ2
SCHEMBL9839943 0.79 AR (0.38) EGFRCHEK1ARKCNQ3KCNQ2
SCHEMBL27810552 0.79 CHEK1 (0.36) ALDH1A1KDM4EL3MBTL1EGFRCHEK1
SCHEMBL3169489 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1EGFRKCNJ1
SCHEMBL14480359 0.77 AR (0.40) ALDH1A1KDM4ECHEK1ARKCNQ3
SCHEMBL15157644 0.77 AR (0.38) ALDH1A1KDM4ECHEK1ARKCNQ3
SCHEMBL6701954 0.76 CHEK1 (0.34) CHEK1ARKCNQ3KCNQ2EGLN2
SCHEMBL18810226 0.76 KDM4E (0.40) ALDH1A1KDM4EL3MBTL1KCNJ1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234390-A1 NOVEL COMPOUND AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-09-16 US claimed
EP-2170874-A2 NOVEL COMPOUNDS AND THEIR USE Orchid Research Laboratories Limited (IN) 2010-04-07 EP claimed
WO-2009001192-A2 NOVEL COMPOUNDS AND THEIR USE ORCHID RESEARCH LABORATORIES LIMITED (IN) 2008-12-31 WO claimed
WO-2008006478-A1 METHOD FOR THE PRODUCTION OF 6-(AMINOCARBONYL) NICOTINIC ACID BUTYL ESTER, AND USE THEREOF FOR THE PRODUCTION OF 5-FORMYLPYRIDINE-2-CARBONITRILE BAYER HEALTHCARE AG (DE) 2008-01-17 WO claimed
EP-4126835-B1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2026-02-18 EP disclosed
US-12516038-B2 Inhibitors of antigen presentation by HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2026-01-06 US disclosed
US-12509439-B2 Anti-malarial agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2025-12-30 US disclosed
US-20250333418-A1 PURINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NOVO NORDISK AS (DK) 2025-10-30 US disclosed
EP-4608835-A1 PURINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Novo Nordisk A/S (DK) 2025-09-03 EP disclosed
WO-2025125811-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Ontrack Therapeutics Limited (GB) 2025-06-19 WO disclosed
CN-120129684-A Purine compound, composition containing same and use thereof 诺和诺德股份有限公司 2025-06-10 CN disclosed
US-20250145628-A1 PYRAZOLOPYRIMIDINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF NOVO NORDISK A/S (DK) 2025-05-08 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 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 (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-12509439-B2 Anti-malarial agents RCC1, PFN1, NHERF1 ALDH1A1 1353/4885KDM4E 3704/4885L3MBTL1 3793/4885
US-20250145628-A1 PYRAZOLOPYRIMIDINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF CNR1, CNR2, TRPV1 ALDH1A1 1990/4885KDM4E 2777/4885L3MBTL1 4811/4885
US-20250333418-A1 PURINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF CNR1, CNR2, P2RY1 ALDH1A1 1291/4885KDM4E 3616/4885L3MBTL1 4490/4885
US-20100234390-A1 NOVEL COMPOUND AND THEIR USE HTRA1, PRSS1, PRNP ALDH1A1 3866/4885KDM4E 4135/4885L3MBTL1 3793/4885

“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.