SCHEMBL6190976

SCHEMBL6190976

CC(C)(C)OC(=O)Cc1ccc(Cn2ccc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HTR6 P50406 1/20 0.52
▸ PLAU P00749 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL6087475 0.85 HDAC8 (0.61) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL6194236 0.83 HDAC8 (0.55) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL30229742 0.81 KMT2A (0.59) KMT2AMAPK1LMNA
SCHEMBL3597779 0.81 KMT2A (0.59) KMT2AMAPK1LMNA
SCHEMBL6188765 0.80 ALDH1A1 (0.59) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL6191822 0.79 HDAC1 (0.63) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL3596244 0.79 LMNA (0.60) KMT2AMAPK1HSD17B10LMNAMTNR1A
SCHEMBL12472242 0.78 HDAC8 (0.70) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL7548794 0.77 ALDH1A1 (0.60) HDAC8HDAC1HDAC2HDAC10HDAC6
SCHEMBL6192195 0.77 HDAC8 (0.58) HDAC8HDAC1HDAC2HDAC10HDAC6

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 7 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
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-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
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-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 (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-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 831/4885HDAC1 135/4885HDAC2 147/4885

“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.

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