SCHEMBL2817150

SCHEMBL2817150

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 4/20 0.43
HSD17B10 Q99714 2/20 0.42
ACHE P22303 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD11B1 P28845 1/20 0.41
PYCR1 P32322 1/20 0.40
RORC P51449 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37

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
SCHEMBL10694828 0.86 CA1 (0.44) ALDH1A1POLBCA1CA2CA5A
SCHEMBL8749758 0.84 ALDH1A1 (0.46) ALDH1A1POLBMAPTMAPK1HSD11B1
SCHEMBL8666047 0.84 ALDH1A1 (0.46) ALDH1A1POLBMAPTMAPK1HSD11B1
SCHEMBL10691685 0.83 TSHR (0.44) ALDH1A1POLBCA1CA2CA5A
SCHEMBL9118558 0.82 ALDH1A1 (0.44) ALDH1A1POLBMAPTMAPK1HSD11B1
SCHEMBL8749734 0.81 ALDH1A1 (0.52) ALDH1A1POLBMAPTMAPK1RECQL
SCHEMBL8844983 0.81 ALDH1A1 (0.52) ALDH1A1POLBMAPTMAPK1RECQL
SCHEMBL6621479 0.81 PTPRC (0.48) ALDH1A1MAPTACHEPYCR1KDM4E
SCHEMBL8604771 0.80 ALDH1A1 (0.45) ALDH1A1POLBMAPTMAPK1KDM4E
SCHEMBL28455171 0.78 HSD17B10 (0.48) ALDH1A1POLBCA1CA2CA5A

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 ALDH1A1 1769/4885POLB 3820/4885CA1 4540/4885

“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.