SCHEMBL4177794

SCHEMBL4177794

C[C@@H]1CCC[C@H](C)N1C(=O)CCl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HPGD P15428 2/20 0.51
GLA P06280 1/20 0.51
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.47
KMT2A Q03164 2/20 0.46
ACE P12821 1/20 0.46
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43
MGLL Q99685 1/20 0.42
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7135300 1.00 ALDH1A1 (0.51) ALDH1A1HPGDGLARECQLLMNA
SCHEMBL11831626 0.91 ALDH1A1 (0.52) ALDH1A1HPGDGLARECQLLMNA
SCHEMBL1799002 0.91 ALDH1A1 (0.52) ALDH1A1HPGDGLARECQLLMNA
SCHEMBL7291572 0.80 ACE (0.49) ALDH1A1HPGDGLARECQLKMT2A
SCHEMBL23343853 0.80 ALDH1A1 (0.53) ALDH1A1HPGDGLARECQLKMT2A
SCHEMBL17787724 0.80 ALDH1A1 (0.53) ALDH1A1HPGDGLARECQLKMT2A
SCHEMBL8901282 0.80 ALDH1A1 (0.53) ALDH1A1HPGDGLARECQLKMT2A
SCHEMBL11844024 0.78 ALDH1A1 (0.48) ALDH1A1HPGDGLALMNASMN1; SMN2
SCHEMBL8903845 0.78 ALDH1A1 (0.51) ALDH1A1HPGDGLARECQLKMT2A
SCHEMBL13991694 0.78 ALDH1A1 (0.51) ALDH1A1HPGDGLARECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 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 (1 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 ALDH1A1 3165/4885HPGD 1794/4885GLA 3459/4885

“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.