SCHEMBL6835534

SCHEMBL6835534

Clc1ccc(Cn2c(-c3ccccn3)cc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
CCR2 P41597 2/20 0.51
NTRK1 P04629 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.50
BRD4 O60885 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CTSD P07339 1/20 0.46
GUSB P08236 1/20 0.46
OPRK1 P41145 2/20 0.45
TNF P01375 1/20 0.45
CXCL8 P10145 1/20 0.45
SOS1 Q07889 1/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
GALR3 O60755 1/20 0.45
NR2F2 P24468 1/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 2/20 0.45
ESR1 P03372 2/20 0.44
CCR1 P32246 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
SCHEMBL6085556 0.80 PTGS2 (0.78) PTGS2CCR2NPSR1TNFCXCL8
SCHEMBL6086162 0.79 PTGS2 (0.71) PTGS2CCR2TNFCXCL8SOS1
SCHEMBL6190846 0.78 PTGS2 (0.67) PTGS2CCR2TNFCXCL8SOS1
SCHEMBL28398720 0.77 PTGS2 (0.53) PTGS2CCR2BRD4NPSR1TNF
SCHEMBL6086179 0.76 PTGS2 (0.57) PTGS2CCR2NPSR1TNFCXCL8
SCHEMBL6086667 0.76 PTGS2 (0.64) PTGS2CCR2PTGDR2TNFCXCL8
SCHEMBL6086063 0.75 PTGS2 (0.62) PTGS2CCR2TNFCXCL8SOS1
SCHEMBL6085789 0.74 PTGS2 (0.69) PTGS2CCR2TNFCXCL8SOS1
SCHEMBL16818561 0.74 BRD4 (0.54) BRD4CTSDOPRK1RAB9AMCL1
SCHEMBL10985601 0.73 NTRK1 (0.50) NTRK1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 949/4885NTRK1 1863/4885

“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.