SCHEMBL6086162

SCHEMBL6086162

Clc1ccc(Cn2c(-c3ccccc3)cc3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.71
CCR2 P41597 5/20 0.61
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 2/20 0.52
CNR2 P34972 1/20 0.50
ESR1 P03372 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TNF P01375 1/20 0.47
CXCL8 P10145 1/20 0.47
SOS1 Q07889 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
RAB9A P51151 1/20 0.47
MTNR1A P48039 1/20 0.45

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
SCHEMBL6085556 0.95 PTGS2 (0.78) PTGS2CCR2L3MBTL1ALDH1A1CNR2
SCHEMBL4887683 0.90 L3MBTL1 (0.61) PTGS2CCR2L3MBTL1ALDH1A1ESR1
SCHEMBL6085789 0.88 PTGS2 (0.69) PTGS2CCR2L3MBTL1ALDH1A1ESR1
SCHEMBL28385496 0.87 CCR2 (0.64) PTGS2CCR2L3MBTL1ALDH1A1ESR1
SCHEMBL6190846 0.87 PTGS2 (0.67) PTGS2CCR2L3MBTL1ALDH1A1ESR1
SCHEMBL28384928 0.87 CCR2 (0.64) PTGS2CCR2L3MBTL1ALDH1A1ESR1
SCHEMBL2823906 0.86 L3MBTL1 (0.57) PTGS2CCR2L3MBTL1ALDH1A1ESR1
SCHEMBL6820278 0.84 PTGS2 (0.53) PTGS2CCR2
SCHEMBL6086667 0.84 PTGS2 (0.64) PTGS2CCR2L3MBTL1ALDH1A1ESR1
SCHEMBL6085769 0.84 PTGS2 (0.57) PTGS2CCR2ALDH1A1CNR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087391-A 4-indole quinazoline compound and preparation method and application thereof 郑州大学 2020-05-01 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
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 PTGS2 41/4885CCR2 949/4885L3MBTL1 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 PTGS2 421/4885CCR2 1391/4885L3MBTL1 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.