SCHEMBL6087475

SCHEMBL6087475

COC(=O)Cc1ccc(Cn2ccc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC9 Q9UKV0 2/20 0.61
HTR6 P50406 1/20 0.56
PLAU P00749 1/20 0.53
POLB P06746 1/20 0.51
KMT2A Q03164 3/20 0.50
HDAC11 Q96DB2 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MGLL Q99685 1/20 0.49
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL12404142 0.88 HDAC8 (0.51) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6194236 0.86 HDAC8 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL27475773 0.85 HDAC8 (0.62) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6190976 0.85 HDAC8 (0.54) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL3496372 0.83 HDAC8 (0.69) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6188765 0.83 ALDH1A1 (0.59) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6191822 0.82 HDAC1 (0.63) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6380447 0.82 FFAR1 (0.56) HDAC8HDAC6HDAC1HDAC2KMT2A
SCHEMBL6192195 0.81 HDAC8 (0.58) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL29827118 0.79 KMT2A (0.65) POLBKMT2AHSD17B10MAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1250542-C 2-(1H-indol-3-yl)-2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2006-04-12 CN disclosed
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
CN-1413205-A 2- (1H-indol-3-yl) -2-oxo-acetamides with antitumor activity NOVUSPHARMA SPA (IT) 2003-04-23 CN 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 HDAC8 831/4885HDAC6 415/4885HDAC1 135/4885
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 HDAC8 78/4885HDAC6 21/4885HDAC1 6/4885

“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.