SCHEMBL3878261

SCHEMBL3878261

CCOC(=O)c1[nH]c2cccnc2c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.55
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 1/20 0.45
XPO1 O14980 1/20 0.45
CDC25B P30305 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL18322246 0.87 PDE9A (0.51) MEN1KMT2AMAPTGAARAB9A
SCHEMBL13761304 0.84 ALDH1A1 (0.47) MEN1KMT2AMAPTGAARAB9A
SCHEMBL18322245 0.84 ALDH1A1 (0.58) KMT2AMAPTGAAALDH1A1CYP1A2
SCHEMBL5264870 0.83 MAPT (0.57) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL5264866 0.83 MAPT (0.57) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL3888738 0.82 AR (0.59) ARMEN1KMT2AMAPTALDH1A1
SCHEMBL13447132 0.82 NPC1 (0.45) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL3878412 0.82 PARP1 (0.53) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL4893031 0.76 MAPT (0.71) ARMEN1KMT2AMAPTGAA
SCHEMBL13926319 0.75 MAPT (0.47) MEN1KMT2AMAPTRAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 AR 6/4885MEN1 1095/4885KMT2A 1237/4885

“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.