SCHEMBL2815591

SCHEMBL2815591

COC(=O)NC1(c2ccc([N+](=O)[O-])cc2)CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTR1E P28566 1/20 0.48
S1PR3 Q99500 1/20 0.48
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC6A3 Q01959 2/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
PKM P14618 1/20 0.42
THRB P10828 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL15524658 0.97 MAPT (0.45) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL21162018 0.94 MAPT (0.44) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL10155681 0.84 LMNA (0.44) MAPTNPSR1MEN1KMT2ACYP1A2
SCHEMBL17109514 0.84 MAPT (0.43) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL17109516 0.84 NPSR1 (0.42) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL17109521 0.83 MEN1 (0.47) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL20898458 0.81 NPSR1 (0.48) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL4093183 0.81 MAPT (0.45) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL21162020 0.79 MAPK1 (0.47) MAPTNPSR1HTR1ES1PR3MEN1
SCHEMBL2814706 0.79 POLB (0.44) MEN1KMT2ALMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG MAPT 4813/4885NPSR1 38/4885HTR1E 181/4885

“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.