SCHEMBL4170346

SCHEMBL4170346

CCN1CCCC1COc1ccc2cc(-c3nn(C4CCCCO4)c4ccc(C(=O)N5CCCC5)cc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.40
CNR1 P21554 3/20 0.40
HRH3 Q9Y5N1 5/20 0.40
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MCHR1 Q99705 1/20 0.34
SRC P12931 1/20 0.34
PTGER4 P35408 1/20 0.34
CHEK2 O96017 2/20 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
SCHEMBL4079336 1.00 CNR2 (0.40) CNR2CNR1HRH3TP53MAPT
SCHEMBL4079746 0.93 MCHR1 (0.37) CNR2CNR1HRH3MAPTMCHR1
SCHEMBL4079745 0.93 MCHR1 (0.37) CNR2CNR1HRH3MAPTMCHR1
SCHEMBL4085972 0.88 MCHR1 (0.36) CNR2CNR1HRH3MAPTMCHR1
SCHEMBL4085969 0.88 MCHR1 (0.36) CNR2CNR1HRH3MAPTMCHR1
SCHEMBL4079648 0.88 MCHR1 (0.41) MAPTMCHR1
SCHEMBL4084914 0.87 MCHR1 (0.38) MAPTMCHR1
SCHEMBL4090069 0.87 TP53 (0.36) TP53MAPTMCHR1
SCHEMBL4090068 0.87 TP53 (0.36) TP53MAPTMCHR1
SCHEMBL4089412 0.87 MAPT (0.42) MAPTMCHR1

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 4 patents. 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
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 CNR2 2105/4885CNR1 2729/4885HRH3 2504/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 CNR2 2016/4885CNR1 2666/4885HRH3 2769/4885

“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.