SCHEMBL6085451

SCHEMBL6085451

O=C(Cl)C(=O)c1cn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.68
MAPK1 P28482 2/20 0.66
LMNA P02545 1/20 0.65
NPSR1 Q6W5P4 4/20 0.64
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 2/20 0.63
CNR2 P34972 2/20 0.63
CNR1 P21554 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KDM4E B2RXH2 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63

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
SCHEMBL6086011 0.90 TUBB4A (0.64) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL5625905 0.89 ADORA1 (0.78) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL6085939 0.89 ADORA1 (0.61) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL6086686 0.89 POLB (0.74) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL3865315 0.88 L3MBTL1 (0.71) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL6086528 0.87 ALDH1A1 (0.61) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL14819907 0.87 ADORA1 (0.74) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL1606606 0.86 LMNA (0.80) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL5852445 0.86 NPSR1 (0.81) ADORA1L3MBTL1MAPK1LMNANPSR1
SCHEMBL6085594 0.85 HTT (0.71) ADORA1L3MBTL1MAPK1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6987122-B2 2-(1H-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2006-01-17 US disclosed
US-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity NOVUSPHARMA S.P.A. (IT) 2004-02-12 US disclosed
EP-1322646-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2003-07-02 EP disclosed
WO-2002008225-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETIC ACID AMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2002-01-31 WO disclosed
US-RE28973-E PARKINSON'S DISEASE A. H. ROBINS COMPANY, INCORPORATED (US) 1976-09-21 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 (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-20040029858-A1 2-(1h-indol-3-yl)-2-oxo-acetic acid amides with antitumor activity IDO1, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADORA1 908/4885L3MBTL1 2057/4885MAPK1 2052/4885

“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.