SCHEMBL17219360

SCHEMBL17219360

O=C(C=Cc1ccc(F)cc1F)NCCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NAMPT P43490 4/20 0.52
ITGB2 P05107 3/20 0.48
ICAM1 P05362 3/20 0.48
ITGAL P20701 3/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
QPCT Q16769 1/20 0.42
NTRK1 P04629 2/20 0.42
PLK4 O00444 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
PRKCG P05129 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42

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
SCHEMBL15854246 1.00 ALDH1A1 (0.52) ALDH1A1NAMPTITGB2ICAM1ITGAL
SCHEMBL15854258 0.92 ALDH1A1 (0.53) ALDH1A1NAMPTITGB2ICAM1ITGAL
SCHEMBL17219316 0.92 ALDH1A1 (0.53) ALDH1A1NAMPTITGB2ICAM1ITGAL
SCHEMBL15854245 0.86 ITGB2 (0.54) ALDH1A1NAMPTITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL17219103 0.85 ITGB2 (0.53) ALDH1A1NAMPTITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL17219099 0.85 ITGB2 (0.53) ALDH1A1NAMPTITGB2ICAM1ITGAL
SCHEMBL15854225 0.80 ALDH1A1 (0.63) ALDH1A1ITGB2ICAM1ITGALPOLB
Hydrochloric Acid SCHEMBL17219644 0.79 ALDH1A1 (0.62) ALDH1A1ITGB2ICAM1ITGALPOLB
Hydrochloric Acid SCHEMBL17219646 0.79 ALDH1A1 (0.62) ALDH1A1ITGB2ICAM1ITGALPOLB
SCHEMBL17219569 0.76 ITGB2 (0.53) ALDH1A1ITGB2ICAM1ITGALKDM4E

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-9540338-B2 Substituted cinnamic acid amides for treating pain NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20150322024-A1 Cinnamic Acid Amide Derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-11-12 US disclosed
EP-2940003-A1 CINNAMIC ACID AMIDE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2015-11-04 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-20150322024-A1 Cinnamic Acid Amide Derivative OPRL1, TRPV1, TRPA1 ALDH1A1 350/4885NAMPT 937/4885ITGB2 4311/4885

“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.