SCHEMBL2302963

SCHEMBL2302963

O=C(c1ccc(O)cc1F)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CPS1 P31327 1/20 0.45
MGLL Q99685 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ESR1 P03372 2/20 0.41
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 2/20 0.38
NPY2R P49146 1/20 0.38
CES2 O00748 1/20 0.37

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
SCHEMBL1941494 0.95 ESR1 (0.46) ALDH1A1TSHRNPSR1CPS1MGLL
SCHEMBL2304821 0.93 ALDH1A1 (0.51) ALDH1A1TSHRNPSR1CPS1MGLL
SCHEMBL12231362 0.82 CES2 (0.53) ALDH1A1TSHRNPSR1ESR1GAA
SCHEMBL12231514 0.79 CES2 (0.53) ALDH1A1TSHRNPSR1ESR1GAA
SCHEMBL717212 0.78 KMT2A (0.49) ALDH1A1CPS1MGLLL3MBTL1MEN1
SCHEMBL17997263 0.78 DGAT1 (0.54) ALDH1A1CPS1GAAPOLBKMT2A
SCHEMBL4610231 0.77 CES2 (0.52) ALDH1A1TSHRNPSR1ESR1GAA
SCHEMBL717435 0.77 CES2 (0.52) ALDH1A1MGLLGAAPOLBMEN1
SCHEMBL6141006 0.77 L3MBTL1 (0.61) ALDH1A1CPS1L3MBTL1GAAMEN1
SCHEMBL12231363 0.74 CES2 (0.57) ALDH1A1TSHRNPSR1ESR1GAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
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
WO-2011040510-A1 INDAZOLE ANALOGUE 旭化成ファーマ株式会社 (JP) 2011-04-07 WO disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
WO-2010041568-A1 INDAZOLE DERIVATIVE 旭化成ファーマ株式会社 (JP) 2010-04-15 WO 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 (2 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 ALDH1A1 286/4885TSHR 168/4885NPSR1 296/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 ALDH1A1 160/4885TSHR 426/4885NPSR1 330/4885

“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.