SCHEMBL6085382

SCHEMBL6085382

Fc1ccc(Cn2ccc3cc(Cl)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
EPHX2 P34913 3/20 0.50
PLG P00747 2/20 0.49
PLAU P00749 2/20 0.49
MAOB P27338 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTR6 P50406 1/20 0.44
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
KMT2A Q03164 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
SCHEMBL6087507 0.90 HDAC8 (0.57) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6087674 0.87 MAPT (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6824300 0.83 APP (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6085897 0.83 HDAC8 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2768186 0.83 HTR6 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4941436 0.83 HDAC8 (0.56) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6824243 0.82 PLAU (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9198838 0.81 HTR2A (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6087849 0.81 MAPT (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5894379 0.80 HDAC8 (0.56) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180684-B Diaryl compound and preparation method thereof 郑州大学 2020-09-11 CN disclosed
CN-109020976-B Pyrimidotriazole-indole-containing compound and preparation method and application thereof 郑州大学 2020-04-17 CN disclosed
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
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 (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.