SCHEMBL6099657

SCHEMBL6099657

O=C1CC/C(=N\O)C(c2ccc(Cl)cc2)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
MDM2 Q00987 1/20 0.40
ALDH1A1 P00352 4/20 0.37
ALOX5 P09917 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM1A O60341 1/20 0.34
MAPK1 P28482 3/20 0.33
PRCP P42785 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SRD5A1 P18405 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL6099660 1.00 TP53 (0.40) TP53MDM2ALDH1A1ALOX5SLC6A2
SCHEMBL2188794 0.84 SMN1; SMN2 (0.44) ALDH1A1HTTPOLBSMN1; SMN2HSD17B10
SCHEMBL2188799 0.84 SMN1; SMN2 (0.44) ALDH1A1HTTPOLBSMN1; SMN2HSD17B10
SCHEMBL7911514 0.83 DDB1 (0.38) ALDH1A1HTTSMN1; SMN2HSD17B10MAPK1
SCHEMBL7911512 0.83 DDB1 (0.38) ALDH1A1HTTSMN1; SMN2HSD17B10MAPK1
SCHEMBL8535215 0.82 MDM2 (0.48) TP53MDM2ALDH1A1ALOX5SLC6A2
SCHEMBL8535211 0.82 MDM2 (0.48) TP53MDM2ALDH1A1ALOX5SLC6A2
SCHEMBL8613935 0.80 ESR1 (0.40) ALDH1A1KDM1AMEN1KMT2ATSHR
SCHEMBL8530171 0.80 DDB1 (0.44) TP53ALDH1A1SMN1; SMN2HSD17B10KDM1A
SCHEMBL8530170 0.80 DDB1 (0.44) TP53ALDH1A1SMN1; SMN2HSD17B10KDM1A

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-7067535-B2 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKU CO., LTD. (JP) 2006-06-27 US disclosed
US-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis TANABE SEIYAKI CO., LTD. (JP) 2004-05-20 US disclosed
EP-1323713-A1 5-PHENYLBENZYLAMINE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND INTERMEDIATES FOR THEIR SYNTHESIS TANABE SEIYAKU CO., LTD. (JP) 2003-07-02 EP 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-20040097548-A1 5-Phenylbenzylamine compounds, process for their production and intermediates for their synthesis CYP1B1, MAOB, HTR1B TP53 4431/4885MDM2 3886/4885ALDH1A1 136/4885

“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.