SCHEMBL14770674

SCHEMBL14770674

COc1ccc(C(C)c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 4/20 0.56
PKM P14618 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MLKL Q8NB16 3/20 0.55
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
POLB P06746 2/20 0.49
IDO1 P14902 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
LTC4S Q16873 1/20 0.46

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
SCHEMBL14770686 0.86 MLKL (0.60) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL14770549 0.85 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL16148339 0.85 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL16756243 0.84 ALPL (0.58) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL3397595 0.84 ALPL (0.58) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL16756501 0.84 ALPL (0.58) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL14770661 0.84 MLKL (0.72) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL17910926 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1PKM
SCHEMBL14770550 0.81 FLT3 (0.40) KDM4EMLKLMEN1KMT2APOLB
SCHEMBL14770492 0.81 AMY1A (0.41) SMN1; SMN2NPC1RAB9AALDH1A1PKM

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 SMN1; SMN2 1964/4885NPC1 2440/4885RAB9A 298/4885

“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.