SCHEMBL4535306

SCHEMBL4535306

O=C(O)NCCc1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.51
TAAR1 Q96RJ0 1/20 0.50
CTSG P08311 1/20 0.47
CMA1 P23946 1/20 0.47
PLAAT3 P53816 2/20 0.47
PLAAT5 Q96KN8 2/20 0.47
PLAAT2 Q9NWW9 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
CNR1 P21554 1/20 0.47
PNMT P11086 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44

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
SCHEMBL23347632 0.90 TAAR1 (0.47) HIF1ATAAR1CTSGCMA1PLAAT3
SCHEMBL1180411 0.86 HIF1A (0.67) HIF1ATAAR1PLAAT3PLAAT5PLAAT2
SCHEMBL20563262 0.78 HPGD (0.40) HIF1APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL29168148 0.77 NQO2 (0.57) SMN1; SMN2NPSR1CYP1A2GLACYP3A4
SCHEMBL4699564 0.77 TAAR1 (0.55) TAAR1CTSGCMA1PNMTSMN1; SMN2
SCHEMBL4511567 0.76 L3MBTL1 (0.49) HIF1ACTSGCMA1PLAAT3PLAAT5
Trifluoroacetic Acid SCHEMBL30133669 0.75 TAAR1 (0.53) HIF1ATAAR1CTSGCMA1PNMT
SCHEMBL4589758 0.75 ERN1 (0.44) HIF1ATAAR1CTSGCMA1CNR1
SCHEMBL20564483 0.74 MTNR1A (0.50) HIF1ASMN1; SMN2RAB9A
SCHEMBL15066402 0.74 SMN1; SMN2 (0.42) TAAR1CTSGCMA1PNMTSMN1; SMN2

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-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

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 HIF1A 691/4885TAAR1 70/4885CTSG 4348/4885

“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.