SCHEMBL2818487

SCHEMBL2818487

Cn1nc(C(=O)NCC(C)(C)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 1/20 0.40
HTR2A P28223 2/20 0.40
HTR4 Q13639 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
ALDH1A1 P00352 1/20 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
MCL1 Q07820 1/20 0.39
RORC P51449 2/20 0.39
MEN1 O00255 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
SCHEMBL2815321 0.93 KDM4E (0.43) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL2814896 0.85 HDAC3 (0.46) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL2815569 0.79 HDAC3 (0.46) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL2813694 0.75 CPT1A (0.45) KDM4EMEN1KMT2APOLBMAPT
SCHEMBL23940252 0.74 KDM4E (0.59) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL2817666 0.73 GSK3B (0.48) KDM4EL3MBTL1HTR2AALDH1A1MAPK1
SCHEMBL2845665 0.68 ELANE (0.47) KDM4EHTR3AL3MBTL1ELANEALDH1A1
SCHEMBL27249840 0.67 HTR3A (0.63) KDM4EHTR3EHTR3BHTR3AHTR3D
SCHEMBL2816962 0.66 RAB9A (0.53) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
SCHEMBL6588422 0.66 KDM4E (0.68) KDM4EHTR3EHTR3BHTR3AHTR3D

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 1 patent. 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

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 KDM4E 1395/4885HTR3E 923/4885HTR3B 719/4885

“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.