SCHEMBL5458586

SCHEMBL5458586

CCC(=O)Nc1ccc(-c2cc(C(=O)OC)ccc2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
MAPT P10636 5/20 0.48
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 5/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GRK2 P25098 1/20 0.44
RECQL P46063 1/20 0.44
ROCK2 O75116 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
SCHEMBL5448213 0.90 TP53 (0.55) KMT2AMEN1MAPTALDH1A1HPGD
SCHEMBL5450623 0.86 KMT2A (0.54) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL5453046 0.86 MAPK14 (0.57) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL5457580 0.82 ALDH1A1 (0.51) KMT2AMEN1RAB9AALDH1A1HPGD
SCHEMBL23063977 0.82 KMT2A (0.72) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL5034978 0.81 TGM2 (0.49) KMT2AMEN1LMNAROCK2
SCHEMBL8401925 0.80 KMT2A (0.79) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL8228782 0.78 MAPT (0.47) MAPTRAB9AALDH1A1HPGDKDM4E
SCHEMBL5028483 0.76 MAPK14 (0.58) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL5033029 0.76 TP53 (0.56) KMT2AMEN1MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US claimed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US claimed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-05-01 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-8623871-B2 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-01-07 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-11-01 US disclosed
US-20070254363-A1 Substituted biaryl 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 (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-20070254363-A1 Substituted biaryl compounds for inflammation and immune-related uses CCR1, CCR3, CXCR2 KMT2A 2650/4885MEN1 4237/4885MAPT 2574/4885
US-20140121217-A1 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CXCR2 KMT2A 2650/4885MEN1 4237/4885MAPT 2574/4885

“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.