SCHEMBL6086304

SCHEMBL6086304

Brc1cccc(Cn2ccc3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.55
CDK4 P11802 4/20 0.50
CCND1 P24385 4/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
PLAU P00749 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP19A1 P11511 1/20 0.47
PLG P00747 1/20 0.46
CYP11B1 P15538 1/20 0.45
ADRA2C P18825 1/20 0.45
CYP11B2 P19099 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL30218821 1.00 HTR6 (0.55) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL6086310 0.87 HTR6 (0.58) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL6396290 0.84 HTR6 (0.55) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL6087734 0.81 HTR6 (0.70) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL31258083 0.81 HTR6 (0.70) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL29509279 0.81 HTR6 (0.73) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL31021 0.81 HTR6 (0.73) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL8386546 0.81 HTR6 (0.55) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL6085311 0.81 HTR6 (0.59) HTR6CDK4CCND1HDAC1HDAC2
SCHEMBL1104768 0.81 HTR6 (0.55) HTR6CDK4CCND1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020976-B Pyrimidotriazole-indole-containing compound and preparation method and application thereof 郑州大学 2020-04-17 CN disclosed
CN-109020976-A Pyrimido triazole-Benzazole compounds and its preparation method and application 郑州大学 2018-12-18 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
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 HTR6 2619/4885CDK4 570/4885CCND1 265/4885
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 HTR6 2122/4885CDK4 1693/4885CCND1 1793/4885

“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.