SCHEMBL4876408

SCHEMBL4876408

O=C(O)c1ccc2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.68
SENP8 Q96LD8 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
CHEK2 O96017 3/20 0.58
CYP19A1 P11511 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SRD5A2 P31213 1/20 0.49
ITK Q08881 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.44
PRMT5 O14744 1/20 0.43
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
PRMT6 Q96LA8 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
SCHEMBL4869950 0.88 CHEK2 (0.56) CASP3SENP8SENP7SENP6CHEK2
SCHEMBL14904717 0.82 CYP19A1 (0.69) CASP3SENP8SENP7SENP6CYP19A1
SCHEMBL3704691 0.81 CASP3 (1.00) CASP3SENP8SENP7SENP6CHEK2
SCHEMBL29941485 0.81 CASP3 (1.00) CASP3SENP8SENP7SENP6CHEK2
SCHEMBL4867874 0.79 MMP13 (0.59) CASP3SENP8SENP7SENP6CYP19A1
SCHEMBL2244487 0.79 CYP19A1 (0.78) CASP3SENP8SENP7SENP6CYP19A1
SCHEMBL14213705 0.78 CASP3 (0.71) CASP3SENP8SENP7SENP6CHEK2
SCHEMBL4871800 0.77 CYP19A1 (0.59) CHEK2CYP19A1
SCHEMBL5635182 0.77 NPC1 (0.73) CASP3SENP8SENP7SENP6CYP19A1
SCHEMBL5438780 0.77 CHEK2 (0.70) CASP3SENP8SENP7SENP6CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375118-B2 Phenyl-indole compounds for modulating IgE and Inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2008-05-20 US disclosed
EP-1537079-A4 PHENYL-INDOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2007-05-16 EP disclosed
CN-1694868-A Phenyl-indole compounds for modulating IgE and inhibiting cell proliferation AVANIR PHARMACEUTICALS (US) 2005-11-09 CN disclosed
EP-1537079-A2 PHENYL-INDOLE COMPOUNDS FOR MODULATING IgE AND INHIBITING CELLULAR PROLIFERATION AVANIR PHARMACEUTICALS (US) 2005-06-08 EP disclosed
US-20040180946-A1 Phenyl-indole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-09-16 US disclosed
WO-2004024896-A2 PHENYL-INDOLE COMPOUNDS AVANIR PHARMACEUTICALS (US) 2004-03-25 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-20040180946-A1 Phenyl-indole compounds for modulating IgE and inhibiting cellular proliferation IDO1, IDO2, CMA1 CASP3 2022/4885SENP8 3860/4885SENP7 3584/4885

“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.