SCHEMBL4530460

SCHEMBL4530460

CC(CNC(=O)O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
TAAR1 Q96RJ0 2/20 0.57
AOC3 Q16853 1/20 0.57
TDP1 Q9NUW8 1/20 0.51
BCL2 P10415 4/20 0.50
BCL2L1 Q07817 4/20 0.50
MCL1 Q07820 4/20 0.50
BCL2A1 Q16548 4/20 0.50
TP53 P04637 3/20 0.50
BAK1 Q16611 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
APAF1 O14727 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GPR139 Q6DWJ6 1/20 0.47

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
Hydrochloric Acid SCHEMBL4323386 0.98 TAAR1 (0.60) NPC1RAB9ATAAR1AOC3TDP1
SCHEMBL23214150 0.89 GRIA4 (0.58) NPC1RAB9ATAAR1AOC3SMN1; SMN2
SCHEMBL2091303 0.86 MTNR1A (0.60) NPC1RAB9ATAAR1AOC3TDP1
SCHEMBL8384291 0.86 MTNR1A (0.60) NPC1RAB9ATAAR1AOC3TDP1
SCHEMBL8384245 0.86 MTNR1A (0.60) NPC1RAB9ATAAR1AOC3TDP1
SCHEMBL8499532 0.85 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TDP1
SCHEMBL7909475 0.85 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TDP1
SCHEMBL2432247 0.85 BCAT2 (0.66) NPC1RAB9ATAAR1AOC3TDP1
SCHEMBL12862954 0.85 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TDP1
SCHEMBL7897225 0.85 NPC1 (0.58) NPC1RAB9ATAAR1AOC3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346411-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES Syngenta Crop Protection AG (CH) 2024-04-10 EP disclosed
WO-2022253645-A1 MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-12-08 WO disclosed
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 WO 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C NPC1 3204/4885RAB9A 3463/4885TAAR1 70/4885

“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.