SCHEMBL3590666

SCHEMBL3590666

NC(=O)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.75
F3 P13726 1/20 0.75
NR4A2 P43354 1/20 0.65
ALDH1A1 P00352 1/20 0.59
ATM Q13315 1/20 0.59
NHERF1 O14745 6/20 0.55
PYGL P06737 1/20 0.55
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52

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
SCHEMBL2535534 0.87 F7 (0.71) F7F3NR4A2NHERF1PYGL
SCHEMBL26204498 0.86 NR4A2 (0.65) F7F3NR4A2ALDH1A1ATM
SCHEMBL1434913 0.86 F7 (1.00) F7F3NR4A2NHERF1PYGL
SCHEMBL592274 0.84 F7 (0.77) F7F3NR4A2NHERF1PYGL
SCHEMBL5912617 0.83 F7 (0.75) F7F3NR4A2NHERF1PYGL
SCHEMBL2535532 0.81 F7 (0.73) F7F3NR4A2NHERF1PYGL
SCHEMBL3443344 0.81 F7 (0.73) F7F3NR4A2ALDH1A1NHERF1
SCHEMBL2546826 0.81 ALDH1A1 (0.61) F7F3NR4A2ALDH1A1ATM
SCHEMBL3389562 0.81 ALDH1A1 (0.61) F7F3ALDH1A1ATM
SCHEMBL31368069 0.80 F7 (0.71) F7F3NR4A2NHERF1PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090203910-A1 Deprotection of N-BOC compounds ROCH PALO ALTO LLC 2009-08-13 US disclosed
EP-2070899-A1 Deprotection of N-BOC compounds F. HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP disclosed
CN-101456780-A Deprotection of n-boc compounds HOFFMANN LA ROCHE (CH) 2009-06-17 CN disclosed
EP-2041127-A2 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2041126-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 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 (3 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-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor PTGER1, PTGER2, PTGER3 F7 3162/4885F3 225/4885NR4A2 701/4885
US-20090203910-A1 Deprotection of N-BOC compounds NUCB2, TERT, CEL F7 96/4885F3 881/4885NR4A2 1600/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 F7 1269/4885F3 53/4885NR4A2 3456/4885

“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.