SCHEMBL13728535

SCHEMBL13728535

CCc1sc(-c2cc(C)on2)nc1-c1ccc(NC(=O)c2cnccc2C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 6/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 4/20 0.39
USP2 O75604 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
ABCB1 P08183 1/20 0.37
ABCC1 P33527 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PORCN Q9H237 2/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
WNT3A P56704 2/20 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
SCHEMBL13728090 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL13727207 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL13838362 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL13838559 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL13838363 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL13838403 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL13838331 0.84 POLB (0.41) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL15803774 0.80 GAA (0.38) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL13732271 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDGAAUSP2
SCHEMBL13727778 0.74 ABCB1 (0.35) ALDH1A1KDM4EGAAHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 US claimed
US-10399967-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2019-09-03 US disclosed
US-10399967-B2 Compounds for inflammation and immune-related uses PRCL Research Inc. (CA) 2019-09-03 US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 US disclosed
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES PRCL Research Inc. (CA) 2017-08-17 US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 US disclosed
US-9604978-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2017-03-28 US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 US disclosed
US-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-06-19 US disclosed
EP-2704701-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corp. (US) 2014-03-12 EP disclosed
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 WO disclosed
WO-2012151355-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 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 (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-20140171446-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ALDH1A1 1615/4885KDM4E 2304/4885HPGD 760/4885
US-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 ALDH1A1 1615/4885KDM4E 2304/4885HPGD 760/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ALDH1A1 1615/4885KDM4E 2304/4885HPGD 760/4885

“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.