SCHEMBL6087656

SCHEMBL6087656

COc1ccc2c(ccn2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.57
HDAC6 Q9UBN7 7/20 0.57
HDAC11 Q96DB2 2/20 0.57
KCNA3 P22001 2/20 0.57
HTR2C P28335 2/20 0.55
HDAC3 O15379 6/20 0.53
HDAC1 Q13547 6/20 0.53
HDAC2 Q92769 6/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 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
SCHEMBL6085908 0.90 HDAC8 (0.58) HDAC8HDAC6HDAC11KCNA3HTR2C
SCHEMBL5894379 0.87 HDAC8 (0.56) HDAC8HDAC6HDAC11HTR2CHDAC3
SCHEMBL12628329 0.87 HDAC8 (0.56) HDAC8HDAC6HDAC11KCNA3HTR2C
SCHEMBL2156618 0.86 HTR2C (0.56) HDAC8HDAC6HDAC11KCNA3HTR2C
SCHEMBL6087507 0.84 HDAC8 (0.57) HDAC8HDAC6HDAC11KCNA3HTR2C
SCHEMBL9202051 0.84 HTR2C (0.52) HDAC8HDAC6HDAC11KCNA3HTR2C
SCHEMBL6085962 0.83 KDM4C (0.47) HDAC8HDAC6HDAC11KCNA3HDAC3
SCHEMBL22533536 0.83 HDAC6 (0.56) HDAC8HDAC6HDAC11KCNA3HTR2C
SCHEMBL9202057 0.82 HDAC8 (0.46) HDAC8HDAC6HDAC11KCNA3HTR2C
SCHEMBL6086223 0.82 HDAC8 (0.48) HDAC8HDAC6HDAC11KCNA3HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
WO-2008157740-A2 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-12-24 WO 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
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 (5 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 HDAC8 989/4885HDAC6 845/4885HDAC11 1757/4885
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 HDAC8 831/4885HDAC6 415/4885HDAC11 358/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT HDAC8 584/4885HDAC6 423/4885HDAC11 958/4885
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 HDAC8 78/4885HDAC6 21/4885HDAC11 29/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 HDAC8 678/4885HDAC6 532/4885HDAC11 1273/4885

“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.