Sugi Predict

Sugi Predict / Compounds / SCHEMBL4079745

SCHEMBL4079745

SCHEMBL4079745

CCN1CCCC1COc1ccc2cc(-c3nn([C@@H]4CCCCO4)c4ccc(C(=O)O)cc34)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ PTGER4 P35408 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CHEK2 O96017 3/20 0.35
▸ SRC P12931 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ ENPP2 Q13822 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
SCHEMBL4079746 1.00 MCHR1 (0.37) MCHR1RXRARXRBRXRGPTGER4
SCHEMBL4079336 0.93 CNR2 (0.40) MCHR1PTGER4CHEK2SRCMAPT
SCHEMBL4170346 0.93 CNR2 (0.40) MCHR1PTGER4CHEK2SRCMAPT
SCHEMBL4090069 0.91 TP53 (0.36) MCHR1RXRARXRBRXRGKDM4E
SCHEMBL4090068 0.91 TP53 (0.36) MCHR1RXRARXRBRXRGKDM4E
SCHEMBL4085469 0.91 CHRNB2 (0.43) RXRARXRBRXRGHRH3
SCHEMBL4085472 0.91 CHRNB2 (0.43) RXRARXRBRXRGHRH3
SCHEMBL4085972 0.91 MCHR1 (0.36) MCHR1RXRARXRBRXRGKDM4E
SCHEMBL4085969 0.91 MCHR1 (0.36) MCHR1RXRARXRBRXRGKDM4E
SCHEMBL4079648 0.90 MCHR1 (0.41) MCHR1KDM4EALDH1A1HPGDHSD17B10

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 MCHR1 2239/4885RXRA 2265/4885RXRB 2226/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 MCHR1 2035/4885RXRA 2170/4885RXRB 2113/4885

“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.