SCHEMBL177355

SCHEMBL177355

COc1nn(C(=O)O)c2cc(OCCN(Cc3ccccc3)Cc3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.47
MAOB P27338 6/20 0.46
NR1H3 Q13133 2/20 0.41
ATM Q13315 1/20 0.41
TSHR P16473 1/20 0.40
SLC2A1 P11166 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL176935 0.89 HCRTR2 (0.43) HCRTR2MAOBNR1H3ATMTSHR
SCHEMBL177398 0.88 MAOB (0.47) HCRTR2MAOBATMABCB1ABCC1
SCHEMBL11897109 0.85 MAOB (0.45) HCRTR2MAOBATMABCB1ABCC1
SCHEMBL177448 0.84 SRD5A2 (0.46) MAOB
SCHEMBL11897265 0.84 MAOB (0.44) HCRTR2MAOBNR1H3ATMABCB1
SCHEMBL177178 0.83 ATM (0.40) HCRTR2MAOBNR1H3ATMTSHR
SCHEMBL11898451 0.82 HCRTR2 (0.40) HCRTR2MAOBNR1H3ATMTSHR
SCHEMBL177305 0.82 PPARG (0.48) ATM
SCHEMBL177347 0.81 ATM (0.38) HCRTR2MAOBNR1H3ATM
SCHEMBL176959 0.81 NR1H3 (0.37) HCRTR2MAOBNR1H3ATMTSHR

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
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 HCRTR2 237/4885MAOB 605/4885NR1H3 83/4885

“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.