SCHEMBL6086629

SCHEMBL6086629

COc1ccc2ccn(Cc3ccc(F)c(F)c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
HTR2A P28223 1/20 0.52
HDAC8 Q9BY41 4/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
MTNR1A P48039 5/20 0.47
MTNR1B P49286 5/20 0.47
P2RX7 Q99572 1/20 0.46
HTR7 P34969 1/20 0.45
CYP19A1 P11511 1/20 0.42
LMNA P02545 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
SCHEMBL6085908 0.85 HDAC8 (0.58) HTR2CHTR2AHDAC8HDAC6HDAC11
SCHEMBL710139 0.83 HTR2A (0.55) HTR2CHTR2AHDAC8HDAC6HDAC11
SCHEMBL28886142 0.80 HTR2A (0.57) HTR2CHTR2AHDAC8HDAC6HDAC11
SCHEMBL6085809 0.80 HTR6 (0.59) HTR2CHTR2AHDAC8HDAC6HDAC1
SCHEMBL31258072 0.80 HTR6 (0.59) HTR2CHTR2AHDAC8HDAC6HDAC1
SCHEMBL6086618 0.78 CCR9 (0.57) HTR2CHTR2AHDAC8HDAC6HDAC11
SCHEMBL18088411 0.76 HDAC8 (0.62) HTR2CHTR2AHDAC8HDAC6HDAC11
SCHEMBL5894379 0.76 HDAC8 (0.56) HTR2CHDAC8HDAC6HDAC11HDAC3
SCHEMBL18002567 0.76 FGFR1 (0.47) HDAC8HDAC6HDAC11HDAC3HDAC1
SCHEMBL24071362 0.75 HDAC8 (0.55) HTR2CHTR2AHDAC8HDAC6HDAC11

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 9 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-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
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 HTR2C 638/4885HTR2A 1258/4885HDAC8 831/4885
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 HTR2C 1200/4885HTR2A 686/4885HDAC8 78/4885

“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.