SCHEMBL13838396

SCHEMBL13838396

CCc1sc(-c2ccon2)nc1-c1ccc(NC(=O)c2cncc(F)c2C)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.34
KDM4E B2RXH2 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ABCB1 P08183 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 3/20 0.33
HPGD P15428 1/20 0.33
GRM5 P41594 2/20 0.32
WNT3A P56704 3/20 0.32
ABL1 P00519 2/20 0.32
ABCC1 P33527 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL13838362 0.88 ALDH1A1 (0.38) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13727778 0.85 ABCB1 (0.35) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13838407 0.82 NPC1 (0.33) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13727207 0.79 ALDH1A1 (0.39) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13728090 0.79 ALDH1A1 (0.39) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13838363 0.78 ALDH1A1 (0.38) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13838559 0.78 ALDH1A1 (0.38) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13732271 0.77 ALDH1A1 (0.38) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13838403 0.76 ALDH1A1 (0.36) GAAKDM4ENPC1RAB9AALDH1A1
SCHEMBL13838331 0.76 POLB (0.41) GAAKDM4ENPC1RAB9AALDH1A1

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 13 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
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 GAA 669/4885KDM4E 2304/4885NPC1 206/4885
US-10399967-B2 Compounds for inflammation and immune-related uses CXCL8, CCR1, CCR8 GAA 669/4885KDM4E 2304/4885NPC1 206/4885
US-20170231984-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 GAA 669/4885KDM4E 2304/4885NPC1 206/4885

“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.