SCHEMBL6085329

SCHEMBL6085329

COc1cc(Cn2ccc3ccccc32)c([N+](=O)[O-])cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
CYP2D6 P10635 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
GAA P10253 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
SERPINE1 P05121 1/20 0.43
HPGD P15428 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
SCHEMBL6086013 0.83 SERPINE1 (0.54) ALDH1A1CYP2D6L3MBTL1CYP1A2CYP2C19
SCHEMBL6085126 0.79 ALDH1A1 (0.56) ALDH1A1GAASMN1; SMN2HTTTSHR
SCHEMBL2967511 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1GAAKDM4ESMN1; SMN2
SCHEMBL5786683 0.76 ALDH1A1 (0.63) ALDH1A1CYP2D6L3MBTL1GAAMTNR1A
SCHEMBL6194433 0.72 LMNA (0.58) ALDH1A1SMN1; SMN2RAB9ANPC1TSHR
SCHEMBL4328862 0.71 SERPINE1 (0.47) ALDH1A1L3MBTL1SMN1; SMN2TDP1LMNA
SCHEMBL3645769 0.70 ALDH1A1 (0.59) ALDH1A1CYP2D6L3MBTL1KDM4ECYP1A2
SCHEMBL124590 0.70 ALDH1A1 (0.63) ALDH1A1CYP2D6L3MBTL1GAAKDM4E
SCHEMBL6085161 0.70 KMT2A (0.57) ALDH1A1L3MBTL1KDM4ESMN1; SMN2NPC1
SCHEMBL28892700 0.70 HTR6 (0.46) ALDH1A1MTNR1AMTNR1BRAB9ANPC1

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
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
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-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 ALDH1A1 384/4885CYP2D6 2081/4885L3MBTL1 1338/4885
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 ALDH1A1 58/4885CYP2D6 3087/4885L3MBTL1 2057/4885

“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.