SCHEMBL6085944

SCHEMBL6085944

Clc1ccc(Cn2ccc3cc4c(cc32)OCO4)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SLC2A1 P11166 1/20 0.42
PDE5A O76074 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
GAA P10253 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6086387 0.87 MAPT (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6086834 0.76 KMO (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6087507 0.76 HDAC8 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12770842 0.75 KCNH2 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12770782 0.74 KCNH2 (0.62) SMN1; SMN2PDE5AMAPK1ALDH1A1LMNA
SCHEMBL16772274 0.73 KCNH2 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23631612 0.72 KMT2A (0.51) SMN1; SMN2MAPK1ALDH1A1LMNAKMT2A
SCHEMBL6086223 0.72 HDAC8 (0.48) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9201670 0.71 HDAC8 (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6191087 0.71 FGFR1 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6

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 9 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
EP-1244652-B1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY CELL THERAPEUTICS EUROPE SRL (IT) 2005-08-24 EP disclosed
US-6753342-B2 ANTICARCINOGENIC AGENTS FOR LUNG AND COLON CANCER TREATMENT NOVUSPHARMA S.P.A. (IT) 2004-06-22 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
US-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung NOVUSPHARMA S.P.A. (IT) 2003-08-21 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
EP-1244652-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY Cell Therapeutics Europe S.R.L. (IT) 2002-10-02 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
WO-2001047916-A1 2-(1H-INDOL-3-YL)-2-OXO-ACETAMIDES WITH ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2001-07-05 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 (2 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-20030158153-A1 2-(1h-indol-3-yl)-2-oxo-acetamides containing a thiophene or furan ring; anticarcinogenic agents particular against solid tumors of colon and lung IDO2, IDO1, TXNRD2 HDAC3 194/4885HDAC1 135/4885HDAC2 147/4885
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 HDAC3 11/4885HDAC1 6/4885HDAC2 10/4885

“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.