SCHEMBL1757730

SCHEMBL1757730

CCOC(=O)Cn1c(C)cc2c(N)cccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.66
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 5/20 0.54
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 2/20 0.51
HSD17B10 Q99714 3/20 0.49
HPGD P15428 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.47
CTNNB1 P35222 1/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43

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
SCHEMBL2988492 0.83 KDM4E (0.51) RAB9AKDM4EALDH1A1HSD17B10MEN1
SCHEMBL13224384 0.82 RAB9A (0.63) RAB9AKDM4EALDH1A1TSHRTDP1
SCHEMBL13206688 0.80 RAB9A (0.60) RAB9AKDM4EALDH1A1TSHRTDP1
SCHEMBL1757820 0.80 RAB9A (0.60) RAB9AKDM4EALDH1A1TSHRTDP1
SCHEMBL11891661 0.80 RAB9A (0.60) RAB9AKDM4EALDH1A1TSHRTDP1
SCHEMBL28771222 0.77 ALDH1A1 (0.48) RAB9AKDM4EALDH1A1TSHRTDP1
SCHEMBL1779695 0.77 RAB9A (0.68) RAB9AKDM4EALDH1A1TSHRTDP1
SCHEMBL3913002 0.77 ALDH1A1 (0.52) RAB9AKDM4EALDH1A1TSHRTDP1
SCHEMBL29612923 0.77 ALDH1A1 (0.52) RAB9AKDM4EALDH1A1TSHRTDP1
SCHEMBL151122 0.76 KDM4E (0.71) RAB9AKDM4EALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-7781598-B2 Process for the preparation of substituted indoles ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-7781598-B2 Process for the preparation of substituted indoles ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051586-A1 Novel Process for the Preparation of Substituted Indoles ASTRAZENECA AB (SE) 2008-02-28 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 (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-20080051586-A1 Novel Process for the Preparation of Substituted Indoles IDO1, IDO2, TPH1 RAB9A 2150/4885KDM4E 565/4885ALDH1A1 882/4885
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 RAB9A 2524/4885KDM4E 4693/4885ALDH1A1 1069/4885

“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.