SCHEMBL10193149

SCHEMBL10193149

CCOc1cnc(C(=O)Nc2cccc(C/N=C(/N)SCc3cccnc3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.47
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIRT2 Q8IXJ6 4/20 0.42
SIRT1 Q96EB6 4/20 0.42
SIRT3 Q9NTG7 4/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.40
GRM4 Q14833 1/20 0.38

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
SCHEMBL10192921 0.92 BACE1 (0.46) BACE1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10192932 0.91 BACE1 (0.46) BACE1NPC1RAB9ASIRT2SIRT1
SCHEMBL10155868 0.90 BACE1 (0.60) BACE1SIRT2SIRT1SIRT3
SCHEMBL10193785 0.89 BACE1 (0.48) BACE1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10193932 0.87 BACE1 (0.47) BACE1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10193147 0.87 BACE1 (0.47) BACE1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10193927 0.86 BACE1 (0.49) BACE1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10193014 0.85 BACE1 (0.46) BACE1HPGDSIRT2SIRT1SIRT3
SCHEMBL10192928 0.85 BACE1 (0.46) BACE1NPC1RAB9ASIRT2SIRT1
SCHEMBL10193824 0.84 BACE1 (0.45) BACE1

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 1/4885NPC1 435/4885RAB9A 836/4885

“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.