SCHEMBL2304907

SCHEMBL2304907

O=C(O)n1nc(OC(F)F)c2ccc(OCc3ccccc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
HTR3A P46098 2/20 0.44
SRD5A2 P31213 1/20 0.41
MAOB P27338 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
P2RY14 Q15391 1/20 0.40
DYRK1A Q13627 1/20 0.40
NR4A2 P43354 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MDH2 P40926 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
EDNRA P25101 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
ALKBH1 Q13686 1/20 0.39
MDM2 Q00987 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL2306493 0.87 HTR3A (0.42) MRGPRX4HTR3ASRD5A2MAOBDYRK1A
SCHEMBL177448 0.85 SRD5A2 (0.46) MRGPRX4HTR3ASRD5A2MAOBPPARG
SCHEMBL27839184 0.81 HTR3A (0.42) MRGPRX4HTR3ASRD5A2MAOBP2RY14
SCHEMBL2305653 0.80 HTR3A (0.32) HTR3A
SCHEMBL177058 0.73 SRD5A2 (0.41) HTR3ASRD5A2MAOBPPARGPPARA
SCHEMBL11897362 0.72 CYP2D6 (0.45) SRD5A2
SCHEMBL20646888 0.71 HTR3A (0.50) HTR3ASRD5A2MAOBP2RY14DYRK1A
SCHEMBL177305 0.70 PPARG (0.48) PPARG
SCHEMBL177355 0.70 HCRTR2 (0.47) MAOB
SCHEMBL20646891 0.70 HTR3A (0.49) HTR3ASRD5A2MAOBPPARGPPARA

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-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 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 MRGPRX4 464/4885HTR3A 13/4885SRD5A2 259/4885

“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.