SCHEMBL4089551

SCHEMBL4089551

C[C@@H]1CCC[C@H](C)N1CC(=O)NN

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ESR2 Q92731 2/20 0.42
RECQL P46063 1/20 0.36
MAPT P10636 2/20 0.35
CTSD P07339 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL4089553 1.00 POLB (0.42) POLBHTTESR2RECQLMAPT
SCHEMBL13641944 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD
SCHEMBL12831694 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD
SCHEMBL13641717 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD
SCHEMBL13641945 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD
SCHEMBL16542981 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD
SCHEMBL13641880 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD
SCHEMBL13641718 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD
SCHEMBL13641771 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD
SCHEMBL13641557 0.85 POLB (0.42) POLBHTTESR2MAPTCTSD

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 POLB 3400/4885HTT 1565/4885ESR2 3952/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 POLB 3558/4885HTT 1407/4885ESR2 3823/4885

“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.