SCHEMBL2815569

SCHEMBL2815569

Cn1nc(C(=O)NCC(C)(C)c2ccc(N)cc2Cl)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HTR3A P46098 3/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNH2 Q12809 2/20 0.39
SLC22A2 O15244 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2814896 0.92 HDAC3 (0.46) HDAC3HDAC1KDM4EHTR3AHTR3E
SCHEMBL2815321 0.85 KDM4E (0.43) HDAC3HDAC1KDM4EHTR3AHTR3E
SCHEMBL2818487 0.79 KDM4E (0.43) HDAC3HDAC1KDM4EHTR3AHTR3E
SCHEMBL2813666 0.79 SMN1; SMN2 (0.49) HDAC3HDAC1KDM4EALDH1A1HSD17B10
SCHEMBL2816699 0.78 CPT1A (0.45) KDM4EALDH1A1POLB
SCHEMBL23940252 0.77 KDM4E (0.59) HDAC3HDAC1KDM4EHTR3AHTR3E
SCHEMBL2813694 0.73 CPT1A (0.45) KDM4EPOLBS1PR1S1PR3
SCHEMBL2817651 0.73 NR1H4 (0.44) HTR3AALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL6588422 0.71 KDM4E (0.68) HDAC3HDAC1KDM4EHTR3AHTR3E
SCHEMBL2818047 0.70 LCK (0.45) KDM4EALDH1A1CYP3A4POLBROCK1

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 HDAC3 530/4885HDAC1 332/4885KDM4E 1395/4885

“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.