SCHEMBL176916

SCHEMBL176916

O=[N+]([O-])c1cc([C@@H]2CO2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
VCAM1 P19320 9/20 0.47
PKM P14618 1/20 0.47
GSTO1 P78417 1/20 0.47
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL176917 1.00 LMNA (0.48) LMNAKMT2AKDM4EMEN1NPC1
SCHEMBL2653828 0.82 HTT (0.49) LMNAKMT2AKDM4EMEN1NPC1
SCHEMBL177098 0.80 ALDH1A1 (0.51) LMNAKMT2AMEN1GAAMAPT
SCHEMBL867235 0.80 ALDH1A1 (0.50) LMNAKMT2AMEN1NPC1GAA
SCHEMBL177099 0.80 ALDH1A1 (0.51) LMNAKMT2AMEN1GAAMAPT
SCHEMBL1065965 0.79 VCAM1 (0.50) LMNAKMT2AKDM4EMEN1NPC1
SCHEMBL28574067 0.77 KMT2A (0.39) LMNAKMT2AKDM4EMEN1NPC1
SCHEMBL9513694 0.77 VCAM1 (0.51) LMNAKMT2AKDM4EMEN1NPC1
SCHEMBL12609542 0.77 MAPT (0.51) KMT2AKDM4EMEN1NPC1MAPT
SCHEMBL12609544 0.77 MAPT (0.51) KMT2AKDM4EMEN1NPC1MAPT

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 19 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
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 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-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 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
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US 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 (3 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 LMNA 3637/4885KMT2A 3898/4885KDM4E 4383/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 LMNA 3821/4885KMT2A 3635/4885KDM4E 4550/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A LMNA 4123/4885KMT2A 4186/4885KDM4E 4623/4885

“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.