SCHEMBL333449

SCHEMBL333449

COC(=O)c1c(C(=O)O)c2cc(Oc3ncccc3C(N)=O)ccc2n1-c1ccc(OC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.42
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD1 P21728 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
BRD4 O60885 1/20 0.36
BRPF1 P55201 1/20 0.36
PTGES O14684 1/20 0.35

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
SCHEMBL333448 0.95 ROCK2 (0.43) ROCK2TDP1RAB9AKDM4EDRD1
SCHEMBL333587 0.93 RAB9A (0.43) ROCK2TDP1RAB9AKDM4EMEN1
SCHEMBL5506893 0.85 RAB9A (0.40) ROCK2RAB9AKDM4EMEN1KMT2A
SCHEMBL333558 0.80 TP53 (0.43) ROCK2MEN1KMT2APTGES
SCHEMBL1407297 0.80 KDM4E (0.40) KDM4EMEN1KMT2AHTTPTGES
SCHEMBL333970 0.79 MEN1 (0.39) KDM4EMEN1KMT2AALDH1A1HTT
SCHEMBL334068 0.79 MEN1 (0.39) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL333405 0.79 TP53 (0.42) ROCK2RAB9AMEN1KMT2APTGES
SCHEMBL333738 0.78 PPARG (0.48) KDM4EPTGES
SCHEMBL333958 0.78 KDM4E (0.42) KDM4EMEN1KMT2AHTTPTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 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 (1 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG ROCK2 386/4885TDP1 1742/4885RAB9A 2586/4885

“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.