SCHEMBL1500671

SCHEMBL1500671

CCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccccc2C(F)(F)F)c1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.40
SLC5A2 P31639 1/20 0.40
HSD11B1 P28845 4/20 0.37
ALDH1A1 P00352 1/20 0.35
CDC25B P30305 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
APLNR P35414 1/20 0.35
LMNA P02545 1/20 0.35
KCNN4 O15554 1/20 0.34
DDX3X O00571 1/20 0.33
HSD11B2 P80365 1/20 0.33
CRHR1 P34998 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
SCHEMBL1500683 0.84 KCNN4 (0.41) TP53KCNN4
SCHEMBL1500684 0.83 ALDH1A1 (0.39) HSD11B1ALDH1A1TP53MAPTLMNA
SCHEMBL1500694 0.82 TP53 (0.41) ALDH1A1TP53MAPTAPLNRKCNN4
SCHEMBL1500720 0.81 PDE4B (0.38) HSD11B1ALDH1A1LMNAKCNN4
SCHEMBL1500727 0.79 FAAH (0.33) ALDH1A1
SCHEMBL1500117 0.78 GRM1 (0.46)
SCHEMBL1500668 0.78 TP53 (0.45) ALDH1A1TP53MAPT
SCHEMBL1500669 0.76 NR1I2 (0.32)
SCHEMBL1500116 0.76 KDM4E (0.33) ALDH1A1LMNA
SCHEMBL1500674 0.74

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 SLC5A1 1350/4885SLC5A2 2510/4885HSD11B1 2748/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 SLC5A1 1698/4885SLC5A2 2823/4885HSD11B1 3071/4885

“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.