SCHEMBL177448

SCHEMBL177448

COc1nn(C(=O)O)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.46
MAOB P27338 6/20 0.45
DYRK1A Q13627 1/20 0.44
HTR3A P46098 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
P2RY14 Q15391 1/20 0.42
NR4A2 P43354 2/20 0.42
ACHE P22303 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL177058 0.87 SRD5A2 (0.41) SRD5A2MAOBDYRK1AHTR3APPARG
SCHEMBL2304907 0.85 MRGPRX4 (0.45) SRD5A2MAOBDYRK1AHTR3APPARG
SCHEMBL177355 0.84 HCRTR2 (0.47) MAOB
SCHEMBL177305 0.84 PPARG (0.48) PPARG
SCHEMBL11897362 0.77 CYP2D6 (0.45) SRD5A2
SCHEMBL2306493 0.75 HTR3A (0.42) SRD5A2MAOBDYRK1AHTR3AMRGPRX4
SCHEMBL177357 0.73 KMT2A (0.48) PPARG
SCHEMBL176935 0.73 HCRTR2 (0.43) MAOB
SCHEMBL1855831 0.71 MAOB (0.62) SRD5A2MAOBDYRK1ARAB9ANPC1
SCHEMBL8589891 0.71 HTR3A (0.50) SRD5A2MAOBHTR3APPARGCNR1

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
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP claimed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 SRD5A2 259/4885MAOB 605/4885DYRK1A 1380/4885

“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.