SCHEMBL6086484

SCHEMBL6086484

CC(=O)Nc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.56
KCNQ2 O43526 2/20 0.56
KCNQ4 P56696 2/20 0.56
KCNQ5 Q9NR82 2/20 0.56
RORC P51449 3/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
MAOB P27338 1/20 0.52
EPHX2 P34913 7/20 0.52
NPC1 O15118 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALOX5 P09917 2/20 0.49
HDAC11 Q96DB2 1/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL28046571 0.90 HDAC8 (0.58) KCNQ3KCNQ2KCNQ4KCNQ5HDAC8
SCHEMBL15601462 0.89 EPHX2 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL28046564 0.89 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL6085966 0.88 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL15601460 0.88 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL28046562 0.88 HDAC8 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5HDAC8
SCHEMBL15601447 0.86 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5HDAC8
SCHEMBL15601409 0.86 KCNQ3 (0.65) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL15601468 0.85 KCNQ3 (0.53) KCNQ3KCNQ2KCNQ4KCNQ5RORC
SCHEMBL17154046 0.85 KCNQ3 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5RORC

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
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-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 (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 KCNQ3 3084/4885KCNQ2 3210/4885KCNQ4 3364/4885
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 KCNQ3 3515/4885KCNQ2 3568/4885KCNQ4 4116/4885

“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.