SCHEMBL4083675

SCHEMBL4083675

OB(O)c1ccc2cc(OCCN3CCCCC3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
LTA4H P09960 1/20 0.54
MAOB P27338 1/20 0.54
PSMB1 P20618 5/20 0.52
PSMB5 P28074 5/20 0.52
PSMB2 P49721 5/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL4089600 0.99 LTA4H (0.56) HRH3LTA4HMAOBPSMB1PSMB5
SCHEMBL29953914 0.87 PSMB1 (0.64) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL3125089 0.87 PSMB1 (0.64) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL2966068 0.85 PSMB1 (0.61) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL29957497 0.84 BACE1 (0.62) HRH3LTA4HKDM4EPOLB
SCHEMBL29957034 0.84 BACE1 (0.62) HRH3LTA4HKDM4EPOLB
SCHEMBL29951665 0.83 LTA4H (0.61) LTA4HKDM4EPOLB
SCHEMBL30186207 0.81 HRH3 (0.81) HRH3LTA4HMAOB
SCHEMBL11151279 0.81 HRH3 (0.81) HRH3LTA4HMAOB
SCHEMBL29955521 0.80 HRH3 (0.69) HRH3POLB

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
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 HRH3 2504/4885LTA4H 2426/4885MAOB 3587/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH3 2769/4885LTA4H 2448/4885MAOB 3738/4885

“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.