SCHEMBL22451189

SCHEMBL22451189

C/C=C/C(=O)OCCCCCCSc1ccc2nn(-c3cc(C)cc(CCCC)c3O)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
PLK1 P53350 1/20 0.30
AKR1B10 O60218 1/20 0.30
AKR1B1 P15121 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22451337 0.93 APP (0.35) APPNPC1RAB9APOLBPLK1
SCHEMBL22451177 0.91 TSHR (0.34) APPNPC1RAB9APOLBPLK1
SCHEMBL22451365 0.89 ALDH1A1 (0.35) APPNPC1RAB9APOLBPLK1
SCHEMBL24345953 0.89 NPC1 (0.35) NPC1RAB9APOLBPLK1ALDH1A1
SCHEMBL22451353 0.86 TSHR (0.37) NPC1RAB9APOLBPLK1ALDH1A1
SCHEMBL21261974 0.86 NPC1 (0.39) NPC1RAB9APOLBPLK1
SCHEMBL21262068 0.86 NPC1 (0.39) NPC1RAB9APOLBPLK1
SCHEMBL22451258 0.86 NPC1 (0.39) NPC1RAB9APOLBPLK1
SCHEMBL19199350 0.86 NPC1 (0.39) NPC1RAB9APOLBPLK1
SCHEMBL22451251 0.86 NPC1 (0.33) NPC1RAB9APOLBPLK1

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-11795151-B2 Benzotriazole compound MIYOSHI OIL & FAT CO., LTD. (JP) 2023-10-24 US disclosed
US-20200325107-A1 BENZOTRIAZOLE COMPOUND MIYOSHI OIL & FAT CO., LTD. (JP) 2020-10-15 US disclosed
EP-3712138-A1 BENZOTRIAZOLE COMPOUND Miyoshi Oil & Fat Co., Ltd. (JP) 2020-09-23 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 (2 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-11795151-B2 Benzotriazole compound PRXL2A, HAX1, XRN2 APP 1346/4885NPC1 4465/4885RAB9A 3572/4885
US-20200325107-A1 BENZOTRIAZOLE COMPOUND PRXL2A, HAX1, XRN2 APP 1346/4885NPC1 4465/4885RAB9A 3572/4885

“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.