SCHEMBL6085685

SCHEMBL6085685

Cc1cccc2ccn(Cc3ccc(F)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
UBE2N P61088 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
APP P05067 1/20 0.40
P2RX7 Q99572 3/20 0.40
CNR2 P34972 2/20 0.40
TP53 P04637 1/20 0.40
SOS1 Q07889 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL14403228 0.87 ADRA2A (0.51) ADRA2AADRA2BADRA2CSMN1; SMN2MAPT
SCHEMBL6085911 0.86 ADRA2A (0.50) ADRA2AADRA2BADRA2CCYP19A1MAPT
SCHEMBL12900314 0.77 FABP4 (0.50) SMN1; SMN2MAPTLMNAHPGDUBE2N
SCHEMBL6086279 0.75 HTR6 (0.52) SMN1; SMN2CYP19A1MAPTLMNAHTR6
SCHEMBL13852172 0.75 PTGER4 (0.47) ADRA2AADRA2BADRA2CMAPTTHRB
SCHEMBL6191024 0.75 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLMNAL3MBTL1APP
SCHEMBL10019302 0.74 KDM4E (0.47) SMN1; SMN2MAPTLMNACNR2TP53
SCHEMBL11081014 0.74 ADRA2A (0.50) ADRA2AADRA2BADRA2CCYP19A1SLC6A2
SCHEMBL15687280 0.74 ALDH1A1 (0.38) SMN1; SMN2MAPTTHRBLMNAL3MBTL1
SCHEMBL24622720 0.74 ADRA2A (0.48) ADRA2AADRA2BADRA2CP2RX7DBH

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 ADRA2A 1008/4885ADRA2B 1965/4885ADRA2C 1243/4885
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 ADRA2A 112/4885ADRA2B 414/4885ADRA2C 591/4885

“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.