SCHEMBL4177818

SCHEMBL4177818

CC1CCCN1CC(=O)NN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HRH3 Q9Y5N1 5/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
RAD52 P43351 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 3/20 0.44
POLB P06746 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.41
CHRM2 P08172 1/20 0.41
ESR2 Q92731 1/20 0.41
ITGA4 P13612 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
SCHEMBL4079775 0.95 ALDH1A1 (0.52) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL18878755 0.84 ALDH1A1 (0.51) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL17244065 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL2639392 0.79 CHRM2 (0.44) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL24749679 0.79 CHRM2 (0.44) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL4412140 0.78 HTT (0.55) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL4089553 0.78 POLB (0.42) ALDH1A1POLBHTTKDM4ERECQL
SCHEMBL4089551 0.78 POLB (0.42) ALDH1A1POLBHTTKDM4ERECQL
SCHEMBL500406 0.77 ALDH1A1 (0.48) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL25202526 0.77 ALDH1A1 (0.48) ALDH1A1HRH3MEN1KMT2ASMN1; SMN2

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 3165/4885HRH3 2504/4885MEN1 1513/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ALDH1A1 3055/4885HRH3 2769/4885MEN1 1519/4885

“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.