SCHEMBL750075

SCHEMBL750075

Cc1cc(OCc2ccccc2)ccc1C1(O)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
SCN5A Q14524 1/20 0.48
SCN9A Q15858 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NOS2 P35228 1/20 0.45
CYP2C19 P33261 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL8316171 0.89 MEN1 (0.47) L3MBTL1SCN5ASCN9AMEN1KMT2A
SCHEMBL748649 0.88 MEN1 (0.46) L3MBTL1SCN5ASCN9AMEN1KMT2A
SCHEMBL2477870 0.87 L3MBTL1 (0.52) L3MBTL1SCN5ASCN9AKDM4ELMNA
SCHEMBL751049 0.83 OPRD1 (0.53) SCN5ASCN9AMEN1KMT2ANPSR1
SCHEMBL8317190 0.82 NOS2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6709536 0.82 SCN5A (0.54) L3MBTL1SCN5ASCN9AMEN1KMT2A
SCHEMBL7506800 0.81 MEN1 (0.52) L3MBTL1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8315303 0.80 SCN5A (0.54) L3MBTL1SCN5ASCN9AMEN1KMT2A
SCHEMBL6604538 0.79 SCN5A (0.51) L3MBTL1SCN5ASCN9AMEN1KMT2A
SCHEMBL1979306 0.79 YAP1 (0.49) OPRD1OPRK1

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
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 L3MBTL1 4775/4885SCN5A 1775/4885SCN9A 3259/4885

“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.