SCHEMBL6190846

SCHEMBL6190846

Clc1ccc(Cn2c(-c3ccc4ccccc4c3)cc3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.67
CCR2 P41597 5/20 0.53
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.44
TNF P01375 1/20 0.43
CXCL8 P10145 1/20 0.43
SOS1 Q07889 1/20 0.43
NOD2 Q9HC29 1/20 0.43
NOD1 Q9Y239 1/20 0.43
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
RAB9A P51151 1/20 0.43
ESR1 P03372 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 1/20 0.41
CYP2A6 P11509 1/20 0.41
IDO1 P14902 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL6085556 0.91 PTGS2 (0.78) PTGS2CCR2ALDH1A1TP53TNF
SCHEMBL16632290 0.90 PTGS2 (0.53) PTGS2CCR2ALDH1A1ESR1L3MBTL1
SCHEMBL6086162 0.87 PTGS2 (0.71) PTGS2CCR2ALDH1A1TNFCXCL8
SCHEMBL6086667 0.86 PTGS2 (0.64) PTGS2CCR2ALDH1A1TP53TNF
SCHEMBL6086063 0.85 PTGS2 (0.62) PTGS2CCR2ALDH1A1TP53TNF
SCHEMBL6085789 0.84 PTGS2 (0.69) PTGS2CCR2ALDH1A1TNFCXCL8
SCHEMBL6086179 0.78 PTGS2 (0.57) PTGS2CCR2TNFCXCL8SOS1
SCHEMBL6835534 0.78 PTGS2 (0.54) PTGS2CCR2TNFCXCL8SOS1
SCHEMBL4887683 0.77 L3MBTL1 (0.61) PTGS2CCR2ALDH1A1ESR1L3MBTL1
SCHEMBL5661209 0.76 PTGS2 (0.61) PTGS2CCR2ALDH1A1TP53NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 949/4885ALDH1A1 384/4885

“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.