SCHEMBL1500720

SCHEMBL1500720

CCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccccc2Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
KCNN4 O15554 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK14 Q16539 3/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
HSD11B1 P28845 2/20 0.33
MAPK11 Q15759 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 1/20 0.33
OPRM1 P35372 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
SCHEMBL1500684 0.86 ALDH1A1 (0.39) LMNASMN1; SMN2HSD11B1ALDH1A1
SCHEMBL1500694 0.85 TP53 (0.41) KCNN4ALDH1A1OPRM1
SCHEMBL1500683 0.84 KCNN4 (0.41) KCNN4
SCHEMBL1500116 0.84 KDM4E (0.33) KDM4ELMNASMN1; SMN2ALDH1A1
SCHEMBL1500727 0.82 FAAH (0.33) ALDH1A1
SCHEMBL1500671 0.81 SLC5A1 (0.40) LMNAKCNN4HSD11B1ALDH1A1
SCHEMBL1500668 0.81 TP53 (0.45) SMN1; SMN2ALDH1A1
SCHEMBL1500669 0.79 NR1I2 (0.32)
SCHEMBL1500117 0.79 GRM1 (0.46)
SCHEMBL1500698 0.78 NPC1 (0.38)

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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-30 US disclosed
US-7902369-B2 Diaryl-substituted five-membered heterocycle derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative MSD K.K. (JP) 2007-07-26 US disclosed
EP-1726585-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 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 (2 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-20110160208-A1 DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE OPRK1, GRM1, GRIK1 PDE4B 1516/4885KDM4E 3735/4885LMNA 4752/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 PDE4B 1912/4885KDM4E 4172/4885LMNA 4488/4885

“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.