SCHEMBL19634525

SCHEMBL19634525

N#CCCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KCNN4 O15554 1/20 0.36
KCNA5 P22460 1/20 0.36
LMNA P02545 1/20 0.34
HIF1A Q16665 7/20 0.33
EPAS1 Q99814 6/20 0.33
LTB4R Q15722 1/20 0.33
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL19634614 0.95 HTT (0.40) HTTKCNN4KCNA5LMNALTB4R
SCHEMBL19634601 0.89 HTT (0.44) HTTKCNN4KCNA5LMNAHIF1A
SCHEMBL8987951 0.77 MEN1 (0.41) LMNAL3MBTL1
SCHEMBL18104688 0.76 CYP3A4 (0.37) HTTLMNAL3MBTL1TSHR
SCHEMBL8756382 0.76 EPHX2 (0.41) CNR2TSHR
SCHEMBL11711810 0.76 EPHX2 (0.41) CNR2TSHR
SCHEMBL4934443 0.76 EPHX2 (0.41) CNR2TSHR
SCHEMBL8403328 0.76 ALDH1A1 (0.37) HTTLMNAL3MBTL1TSHR
SCHEMBL8882499 0.75 HTT (0.45) HTTLMNAHIF1AL3MBTL1TSHR
SCHEMBL4821584 0.75 MEN1 (0.42) HTTL3MBTL1TSHR

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
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B HTT 1394/4885KCNN4 4198/4885KCNA5 2073/4885

“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.