SCHEMBL6086428

SCHEMBL6086428

FC(F)(F)c1ccc2ccn(Cc3ccc(Cl)cc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.55
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNQ4 P56696 2/20 0.47
KCNQ5 Q9NR82 2/20 0.47
HTR7 P34969 2/20 0.47
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
DDR1 Q08345 1/20 0.43
CCR2 P41597 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
ERBB2 P04626 1/20 0.42
HTR6 P50406 2/20 0.41
P2RX3 P56373 1/20 0.41
KMO O15229 1/20 0.40
DRD2 P14416 1/20 0.40

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
SCHEMBL14764868 0.91 KCNQ3 (0.47) KCNA3KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL28942975 0.83 MAPT (0.50) HTR6KMO
SCHEMBL6086834 0.82 KMO (0.55) KCNA3HTR7HDAC3HDAC1HDAC2
SCHEMBL14773316 0.81 KCNQ3 (0.46) KCNA3KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL6087849 0.80 MAPT (0.53) HTR7HDAC3HDAC1HDAC2HDAC8
SCHEMBL18002722 0.78 L3MBTL1 (0.45) KCNQ3KCNQ2KCNQ4KCNQ5HTR7
SCHEMBL18003394 0.78 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ4KCNQ5HTR7
SCHEMBL12384216 0.78 HTR7 (0.57) KCNA3KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL6086669 0.77 HTR6 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5HDAC1
SCHEMBL29405864 0.77 HTR6 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5HDAC1

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 KCNA3 3460/4885KCNQ3 3084/4885KCNQ2 3210/4885
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 KCNA3 2062/4885KCNQ3 3515/4885KCNQ2 3568/4885

“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.