SCHEMBL5046995

SCHEMBL5046995

Fc1[c]cccc1COc1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SGMS2 Q8NHU3 1/20 0.30

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
SCHEMBL5046991 0.79 RXRA (0.37) RXRAGRIN1GRIN2BMEN1KMT2A
SCHEMBL919451 0.76 KMT2A (0.49) MEN1KMT2AGAAKDM4EALDH1A1
SCHEMBL27606001 0.72 HDAC3 (0.37) RXRAGRIN1GRIN2BMEN1KMT2A
SCHEMBL920619 0.71 SLC6A2 (0.46) KDM4E
SCHEMBL7081299 0.68 KDM4E (0.36) RXRAGRIN1GRIN2BMEN1KMT2A
SCHEMBL7650149 0.68 HRH4 (0.41)
SCHEMBL6079224 0.68 RXRA (0.42) RXRAGRIN1GRIN2BMEN1KMT2A
SCHEMBL2492332 0.67 KMT2A (0.47) MEN1KMT2AALDH1A1HPGD
SCHEMBL921312 0.65 HTR1A (0.52) MEN1KMT2AALDH1A1SGMS2
SCHEMBL1977896 0.64 KMT2A (0.42) MEN1KMT2AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US claimed
US-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-28 US claimed
EP-1983980-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-10-29 EP claimed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
WO-2007087427-A2 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO claimed
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-15 US disclosed
US-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-11-28 US disclosed
US-8455658-B2 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-06-04 US disclosed
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 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 (3 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-20130317032-A1 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 RXRA 257/4885GRIN1 1741/4885GRIN2B 4167/4885
US-20140135331-A9 THIAZOLE AND THIADIAZOLE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR1, NLRP3, NLRP1 RXRA 257/4885GRIN1 1741/4885GRIN2B 4167/4885
US-20070254925-A1 Thiazole and thiadiazole compounds for inflammation and immune-related uses CXCR1, NLRP3, NLRP1 RXRA 257/4885GRIN1 1741/4885GRIN2B 4167/4885

“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.