SCHEMBL10193271

SCHEMBL10193271

CO/C(N)=N\C(c1ccc(OC)cc1)c1cccc(NC(=O)c2ccc(Cl)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ACKR3 P25106 1/20 0.43
GRM4 Q14833 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 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
SCHEMBL10193160 0.94 BACE1 (0.48) BACE1KMT2AMEN1SMN1; SMN2ACKR3
SCHEMBL10193841 0.88 AURKA (0.52) BACE1KMT2AMEN1SMN1; SMN2GRM4
SCHEMBL10193165 0.88 AURKA (0.48) BACE1KMT2AMEN1NPC1RAB9A
SCHEMBL10193157 0.87 BACE1 (0.45) BACE1SMN1; SMN2GRM4
SCHEMBL10193854 0.86 AURKA (0.52) BACE1
SCHEMBL10193227 0.85 SMN1; SMN2 (0.51) BACE1NPC1RAB9ASMN1; SMN2ACKR3
SCHEMBL10193243 0.84 BACE1 (0.46) BACE1GRM4
SCHEMBL10193694 0.83 SMN1; SMN2 (0.48) BACE1KMT2AMEN1NPC1RAB9A
SCHEMBL10194093 0.82 BACE1 (0.42) BACE1KMT2AMEN1NPC1RAB9A
SCHEMBL10193689 0.80 KMT2A (0.42) BACE1KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP BACE1 1/4885KMT2A 1656/4885MEN1 3671/4885

“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.