SCHEMBL14770650

SCHEMBL14770650

COc1ccc(C(C)c2nc3ccccc3[nH]2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.50
HPSE Q9Y251 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MLKL Q8NB16 3/20 0.48
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 2/20 0.43
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL14770714 0.86 MLKL (0.59) AMY1AHPSEL3MBTL1MLKLTSHR
SCHEMBL14770652 0.85 MEN1 (0.37) AMY1AHPSEL3MBTL1TSHRMEN1
SCHEMBL14770685 0.85 MLKL (0.50) AMY1AL3MBTL1MLKLTSHRMEN1
SCHEMBL14770503 0.84 AMY1A (0.42) AMY1AHPSEL3MBTL1TSHRTP53
SCHEMBL14770655 0.81 MEN1 (0.46) HPSETSHRMEN1TP53MAPT
SCHEMBL14770674 0.79 SMN1; SMN2 (0.56) MLKLTSHRMEN1KMT2APOLB
SCHEMBL29212596 0.77 MLKL (0.58) MLKLMEN1TP53MAPK1KMT2A
SCHEMBL16148232 0.76 MLKL (0.45) L3MBTL1MLKLTSHRMEN1TP53
SCHEMBL3397595 0.75 ALPL (0.58) MLKLTP53ALOX12MAPK1KMT2A
SCHEMBL16756501 0.75 ALPL (0.58) MLKLTP53ALOX12MAPK1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096531-B2 Fused imidazole derivative TOA EIYO LTD. (JP) 2015-08-04 US disclosed
US-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE TOA EIYO LTD. (JP) 2013-03-14 US 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-20130065896-A1 FUSED IMIDAZOLE DERIVATIVE CACNA1E, CACNA1G, CACNA1A AMY1A 4661/4885HPSE 4805/4885L3MBTL1 4421/4885

“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.