SCHEMBL2815457

SCHEMBL2815457

NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HTR1E P28566 1/20 0.57
▸ S1PR3 Q99500 1/20 0.57
▸ LMNA P02545 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ SIGMAR1 Q99720 3/20 0.46
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ PLAU P00749 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL17109512 0.97 NPSR1 (0.53) NPSR1MAPTHTR1ES1PR3LMNA
SCHEMBL18040073 0.93 TSHR (0.52) NPSR1MAPTHTR1ES1PR3LMNA
SCHEMBL5467289 0.88 NPSR1 (0.49) NPSR1MAPTHTR1ES1PR3LMNA
SCHEMBL3900070 0.85 AKR1C1 (0.59) NPSR1MAPTHTR1ES1PR3LMNA
SCHEMBL5372386 0.83 NPSR1 (0.57) NPSR1MAPTHTR1ES1PR3LMNA
SCHEMBL3224174 0.81 NPSR1 (0.55) NPSR1MAPTHTR1ES1PR3LMNA
SCHEMBL30492221 0.80 KDM1A (0.50) NPSR1LMNAMEN1CYP1A2CYP2C19
SCHEMBL5369238 0.80 NPSR1 (0.53) NPSR1MAPTHTR1ES1PR3LMNA
SCHEMBL1769201 0.77 NPSR1 (0.50) NPSR1MAPTHTR1ES1PR3LMNA
SCHEMBL30683847 0.77 GPR35 (0.45) NPSR1MAPTHTR1ES1PR3MEN1

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 NPSR1 38/4885MAPT 4813/4885HTR1E 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.

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