SCHEMBL4877838

SCHEMBL4877838

N#Cc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.63
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CDK5 Q00535 2/20 0.45
CDK5R1 Q15078 2/20 0.45
VCAM1 P19320 2/20 0.41
MAPT P10636 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
MMP13 P45452 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL4871692 0.89 CYP19A1 (0.50) CYP19A1NPC1POLBMEN1KMT2A
SCHEMBL7514925 0.84 CYP19A1 (0.82) CYP19A1NPC1POLBMEN1KMT2A
SCHEMBL15058859 0.84 CYP19A1 (0.81) CYP19A1NPC1MEN1KMT2ACDK5
SCHEMBL14904717 0.82 CYP19A1 (0.69) CYP19A1NPC1POLBMEN1KMT2A
SCHEMBL7518475 0.79 CYP19A1 (0.65) CYP19A1NPC1POLBMEN1KMT2A
SCHEMBL13191447 0.79 CYP19A1 (0.65) CYP19A1NPC1POLBMEN1KMT2A
SCHEMBL4866651 0.79 CYP19A1 (0.65) CYP19A1NPC1POLBMEN1KMT2A
SCHEMBL10172987 0.79 CYP19A1 (0.65) CYP19A1NPC1POLBMEN1KMT2A
SCHEMBL15073406 0.79 CYP19A1 (0.72) CYP19A1NPC1MEN1KMT2ACDK5
SCHEMBL11556289 0.78 CYP19A1 (1.00) CYP19A1NPC1MEN1KMT2ACDK5

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 CYP19A1 1281/4885NPC1 3700/4885POLB 3894/4885

“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.