SCHEMBL1500679

SCHEMBL1500679

CCCC[Sn](CCCC)(CCCC)c1nnn(-c2ccc(F)cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.46
TP53 P04637 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
NOTUM Q6P988 1/20 0.35
GAA P10253 2/20 0.34
KDR P35968 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL1500749 0.89 LMNA (0.38) PTGS2TP53DCTPP1MAPTLMNA
SCHEMBL1500668 0.86 TP53 (0.45) TP53DCTPP1SMN1; SMN2MAPTNPC1
SCHEMBL1500675 0.84 IDO1 (0.38) TP53SMN1; SMN2MAPTLMNANOTUM
SCHEMBL1500252 0.84 PTGS2 (0.32) PTGS2
SCHEMBL1500682 0.82 NPC1 (0.39) TP53SMN1; SMN2NPC1RAB9A
SCHEMBL1500676 0.82 NPC1 (0.50) PTGS2TP53SMN1; SMN2MAPTLMNA
SCHEMBL1500674 0.80
SCHEMBL1500670 0.78
SCHEMBL1500683 0.78 KCNN4 (0.41) TP53HPGDNPC1RAB9AKMT2A
SCHEMBL1500705 0.78 ALDH1A1 (0.43) TP53SMN1; SMN2MAPTLMNACYP1A2

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 PTGS2 156/4885TP53 4814/4885DCTPP1 4687/4885
US-20070173507-A1 Dairyl-substituted five-membered heterocycle derivative OPRK1, OPRL1, GRM1 PTGS2 322/4885TP53 4576/4885DCTPP1 4681/4885

“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.