SCHEMBL2817404

SCHEMBL2817404

CC(C)(C#N)c1ccc([N+](=O)[O-])cc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.47
CYP19A1 P11511 3/20 0.47
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
CHRNB2 P17787 2/20 0.42
CHRNA5 P30532 2/20 0.42
CHRNA4 P43681 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 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
SCHEMBL27796785 0.86 CYP19A1 (0.49) RAB9ACYP19A1CYP11B1CYP11B2CHRNB2
SCHEMBL2815335 0.81 CYP19A1 (0.49) RAB9ACYP19A1CYP11B1CYP11B2CHRNB2
SCHEMBL2816192 0.79 AXL (0.45) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL2653137 0.77 CYP19A1 (0.54) RAB9ACYP19A1CYP11B1CYP11B2CHRNB2
SCHEMBL2818020 0.77 CYP19A1 (0.45) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL2651516 0.74 CYP19A1 (0.54) RAB9ACYP19A1CYP11B1CYP11B2CHRNB2
SCHEMBL2651033 0.74 CYP19A1 (0.54) RAB9ACYP19A1CYP11B1CYP11B2CHRNB2
SCHEMBL6219958 0.74 CYP19A1 (0.57) RAB9ACYP19A1CYP11B1CYP11B2SMN1; SMN2
SCHEMBL10338913 0.72 CYP19A1 (0.58) RAB9ACYP19A1CYP11B1CYP11B2CHRNB2
SCHEMBL2815590 0.72 ALDH1A1 (0.53) MAPTHTTSMN1; SMN2TDP1PDE4A

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 4 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
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN 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 RAB9A 1404/4885CYP19A1 6/4885CYP11B1 680/4885

“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.