SCHEMBL1204342

SCHEMBL1204342

CC(=O)Cc1ccc(NC(=O)NCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.70
RORC P51449 2/20 0.68
NPC1 O15118 6/20 0.66
RAB9A P51151 5/20 0.66
HPGD P15428 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MEN1 O00255 1/20 0.66
TP53 P04637 1/20 0.66
KMT2A Q03164 1/20 0.66
MAPT P10636 2/20 0.65
POLB P06746 1/20 0.61
MAOB P27338 1/20 0.61
CA2 P00918 3/20 0.59
CA1 P00915 2/20 0.59
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
ROCK2 O75116 1/20 0.59
ROCK1 Q13464 1/20 0.59
NAMPT P43490 1/20 0.59
HTT P42858 1/20 0.57

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
SCHEMBL23747449 0.87 RAB9A (0.74) NPC1RAB9AMEN1TP53KMT2A
SCHEMBL1205996 0.85 NPC1 (0.58) PTPN1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13185536 0.84 POLB (0.70) PTPN1RORCNPC1RAB9AHPGD
SCHEMBL23747392 0.84 SMN1; SMN2 (0.75) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL4743393 0.84 NPC1 (0.73) PTPN1RORCNPC1RAB9AHPGD
SCHEMBL4744610 0.84 NPC1 (0.69) PTPN1RORCNPC1RAB9AHPGD
SCHEMBL2831462 0.84 NPC1 (0.77) PTPN1RORCNPC1RAB9AHPGD
SCHEMBL5853157 0.83 NPC1 (0.88) PTPN1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL4743832 0.81 CA2 (0.67) PTPN1RORCNPC1RAB9AHPGD
SCHEMBL14025738 0.81 NPC1 (0.73) PTPN1RORCNPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2011-02-03 US disclosed
EP-2254860-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-12-01 EP disclosed
WO-2009106351-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-09-03 WO disclosed
EP-2096105-A1 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor Laboratorios Almirall, S.A. (ES) 2009-09-02 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 (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-20110028442-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ADRB2, ADRB1, ADRA2C PTPN1 3168/4885RORC 327/4885NPC1 2996/4885

“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.