SCHEMBL4085410

SCHEMBL4085410

CCOC(=O)CN1[C@H](C)CCC[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CHRM1 P11229 1/20 0.39
LMNA P02545 2/20 0.39
ELANE P08246 1/20 0.39
TRPA1 O75762 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4085412 1.00 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2KMT2ATDP1
SCHEMBL1268069 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ATDP1GSK3A
SCHEMBL13069905 0.81 HRH3 (0.38) HRH3HPGD
Hydrochloric Acid SCHEMBL7326164 0.81 HRH3 (0.46) ALDH1A1KDM4ESMN1; SMN2KMT2AMGAM
SCHEMBL15531802 0.80 GSK3A (0.40) ALDH1A1KDM4ETDP1GSK3AGSK3B
SCHEMBL2663490 0.80 GSK3A (0.40) ALDH1A1KDM4EKMT2ATDP1GSK3A
SCHEMBL21876615 0.80 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2TDP1GSK3A
SCHEMBL2652316 0.80 MAPK1 (0.40) ALDH1A1KDM4EKMT2ATDP1GSK3A
SCHEMBL1855325 0.80 HRH3 (0.45) ALDH1A1KDM4ESMN1; SMN2TDP1HRH3
SCHEMBL4093576 0.79 HRH3 (0.53) ALDH1A1KDM4ESMN1; SMN2KMT2ATDP1

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
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
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO 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 ALDH1A1 3165/4885KDM4E 3468/4885SMN1; SMN2 3688/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ALDH1A1 3055/4885KDM4E 3359/4885SMN1; SMN2 3663/4885

“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.