SCHEMBL6085897

SCHEMBL6085897

Cc1ccc2c(ccn2Cc2ccc(F)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
EPHX2 P34913 3/20 0.52
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
KDM4E B2RXH2 1/20 0.48
CACNB4 O00305 1/20 0.48
CACNA1A O00555 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNG3 O60359 1/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNB3 P54284 1/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNG7 P62955 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNA1D Q01668 1/20 0.48

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
SCHEMBL6087212 0.88 HTR2C (0.51) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL6086386 0.86 HTR2A (0.53) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL14048127 0.84 HDAC6 (0.53) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL9583627 0.84 HTR2A (0.54) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL11949599 0.84 DPP4 (0.53) EPHX2HTR2AHTR2CPLGPLAU
SCHEMBL6085382 0.83 HDAC3 (0.54) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL15703737 0.82 HTR2A (0.49) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL17067807 0.82 HTR2A (0.49) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL5894379 0.82 HDAC8 (0.56) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL11959087 0.81 HTR2A (0.51) HDAC8HDAC6HDAC3HDAC1HDAC2

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 HDAC8 831/4885HDAC6 415/4885HDAC3 194/4885
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 21/4885HDAC3 11/4885

“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.