SCHEMBL2891386

SCHEMBL2891386

Cc1c(I)nnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
TP53 P04637 2/20 0.47
ALOX12 P18054 1/20 0.47
DCTPP1 Q9H773 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
PFKFB3 Q16875 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2893813 0.80 GRM1 (0.53) IDO1TDO2ALDH1A1
SCHEMBL435000 0.79 HTT (0.59) HTTTP53ALOX12DCTPP1SMN1; SMN2
SCHEMBL29092087 0.79 SMN1; SMN2 (0.44) HTTTP53SMN1; SMN2IDO1TDO2
SCHEMBL12758937 0.76 HTT (0.61) HTTTP53ALOX12DCTPP1SMN1; SMN2
SCHEMBL13325667 0.74 NPC1 (0.62) HTTTP53ALOX12DCTPP1SMN1; SMN2
SCHEMBL2891435 0.74 HTT (0.54) HTTTP53ALOX12DCTPP1SMN1; SMN2
SCHEMBL1500195 0.74 KCNN4 (0.43) DCTPP1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL2889080 0.74 KCNN4 (0.51) NPC1RAB9AMEN1KMT2A
SCHEMBL2885349 0.73 TP53 (0.46) HTTTP53ALOX12SMN1; SMN2MEN1
SCHEMBL2889408 0.73 MAOA (0.50) HTTTP53ALOX12SMN1; SMN2NPC1

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 HTT 2050/4885TP53 4862/4885ALOX12 1520/4885

“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.