SCHEMBL4869950

SCHEMBL4869950

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.56
TSHR P16473 2/20 0.54
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
CDC7 O00311 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
CYP19A1 P11511 1/20 0.49
PRMT5 O14744 1/20 0.48
PRMT3 O60678 1/20 0.48
CARM1 Q86X55 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT1 Q99873 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
PRMT7 Q9NVM4 1/20 0.48
SIRT2 Q8IXJ6 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
SCHEMBL4871800 0.90 CYP19A1 (0.59) CHEK2TSHRCDC7LMNAGAA
SCHEMBL4876408 0.88 CASP3 (0.68) CHEK2CASP3SENP8SENP7SENP6
SCHEMBL6441482 0.86 CASP3 (0.62) CHEK2CASP3SENP8SENP7SENP6
SCHEMBL14213702 0.82 CASP3 (0.57) CHEK2CASP3SENP8SENP7SENP6
SCHEMBL14904717 0.81 CYP19A1 (0.69) CASP3SENP8SENP7SENP6CDC7
SCHEMBL27609728 0.81 CDC7 (0.50) CASP3SENP8SENP7SENP6CDC7
Hydrochloric Acid SCHEMBL28572814 0.81 CASP3 (0.56) CHEK2CASP3SENP8SENP7SENP6
Hydrochloric Acid SCHEMBL28671716 0.81 CASP3 (0.56) CHEK2CASP3SENP8SENP7SENP6
SCHEMBL30344399 0.80 CASP3 (0.77) CHEK2CASP3SENP8SENP7SENP6
SCHEMBL5443742 0.80 CASP3 (0.77) CHEK2CASP3SENP8SENP7SENP6

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 2 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
US-20040180946-A1 Phenyl-indole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS 2004-09-16 US 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 CHEK2 3236/4885TSHR 3965/4885CASP3 2022/4885

“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.