SCHEMBL177618

SCHEMBL177618

O=C(O)C=Cc1nn(C2CCCCO2)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HTR3A P46098 2/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
CNR1 P21554 3/20 0.40
CNR2 P34972 3/20 0.40
PTGER3 P43115 1/20 0.40
PTGDR Q13258 1/20 0.40
CMKLR1 Q99788 2/20 0.39
ATR Q13535 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MAOB P27338 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALOX5AP P20292 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
SCHEMBL2237687 1.00 KDM4E (0.43) KDM4EALDH1A1PKMHTR3ACYP4F2
SCHEMBL12348074 0.90 HTR3A (0.40) KDM4EHTR3ACYP4F2CYP4A11CNR1
SCHEMBL176881 0.88 CYP4F2 (0.44) ALDH1A1HTR3ACYP4F2CYP4A11CNR1
SCHEMBL177022 0.84 HTR3A (0.48) KDM4EHTR3ACYP4F2CYP4A11CNR1
SCHEMBL3338915 0.83 HTR3A (0.40) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL176753 0.82 CYP4F2 (0.44) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL176886 0.81 FFAR1 (0.43) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL2303237 0.80 HTR3A (0.44) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL177024 0.80 CYP4F2 (0.43) ALDH1A1HTR3ACYP4F2CYP4A11CNR1
SCHEMBL2237767 0.80 HTR3A (0.46) ALDH1A1HTR3ACYP4F2CYP4A11CNR1

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 5 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
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 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 (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 KDM4E 4383/4885ALDH1A1 286/4885PKM 3715/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A KDM4E 4623/4885ALDH1A1 131/4885PKM 3860/4885

“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.