SCHEMBL5374898

SCHEMBL5374898

COc1ccc(-c2noc3cc(F)ccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.52
RAB9A P51151 2/20 0.49
ESR1 P03372 3/20 0.49
ESR2 Q92731 3/20 0.49
PTGS2 P35354 4/20 0.48
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE3A Q14432 1/20 0.43
NR4A2 P43354 1/20 0.43

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
SCHEMBL5371130 0.85 HPGD (0.48) RAB9AESR1ESR2NPC1MEN1
SCHEMBL14081509 0.83 ESR1 (0.53) MAOBRAB9AESR1ESR2NPC1
SCHEMBL13069640 0.83 ESR1 (0.47) RAB9AESR1ESR2
SCHEMBL4221887 0.82 MEN1 (0.55) RAB9AESR1ESR2PTGS2MEN1
SCHEMBL5378603 0.80 ESR1 (0.76) ESR1ESR2
SCHEMBL13069910 0.80 ESR1 (0.53) RAB9AESR1ESR2NPC1
SCHEMBL10661121 0.80 MAPT (0.42) MAOBRAB9AESR1ESR2NPC1
SCHEMBL5365388 0.80 LSS (0.44) ESR1ESR2
SCHEMBL13588378 0.80 ESR1 (0.51) MAOBESR1ESR2KMT2ANR4A2
SCHEMBL13069526 0.79 ESR1 (0.49) ESR1ESR2MEN1KMT2A

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
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTIALS INC. (US) 2005-05-19 US disclosed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 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-20050107377-A1 Benzisoxazolyl-,pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists DRD4, DRD2, DRD1 MAOB 123/4885RAB9A 2015/4885ESR1 2640/4885

“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.