SCHEMBL2889080

SCHEMBL2889080

Cc1c(I)nnn1-c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 16/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL12530244 0.82 KMT2A (0.50) KCNN4NPC1RAB9AKMT2AHPGD
SCHEMBL1500195 0.79 KCNN4 (0.43) KCNN4KMT2A
SCHEMBL2892214 0.79 GRM1 (0.54) KCNN4NPC1RAB9A
SCHEMBL2888885 0.78 KCNN4 (0.46) KCNN4NPC1RAB9AKMT2AHPGD
SCHEMBL29848689 0.76 NOTUM (0.51) KCNN4NPC1RAB9A
SCHEMBL20162825 0.74 KCNN4 (0.43) KCNN4NPC1RAB9AKMT2AHPGD
SCHEMBL30037543 0.74 HPGD (0.44) KCNN4NPC1RAB9AKMT2AHPGD
SCHEMBL17324829 0.74 MAPT (0.64) KMT2AMEN1PRNP
SCHEMBL30037425 0.74 KCNN4 (0.43) KCNN4NPC1RAB9AKMT2AHPGD
SCHEMBL30038081 0.74 HTT (0.65) NPC1RAB9A

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-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B KCNN4 634/4885NPC1 1716/4885RAB9A 598/4885

“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.