SCHEMBL1828192

SCHEMBL1828192

O=C(Nc1ccc(-c2ccccc2C(F)(F)F)cc1)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.65
NPC1 O15118 9/20 0.65
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
TDP1 Q9NUW8 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 2/20 0.57
GFER P55789 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
THRB P10828 1/20 0.54
TP53 P04637 2/20 0.53
CASP3 P42574 1/20 0.53
CASP2 P42575 1/20 0.53
PTPN1 P18031 1/20 0.53

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
SCHEMBL28148837 0.83 RAB9A (0.77) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL19392293 0.82 NPC1 (0.89) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL2784691 0.82 TRPA1 (0.42) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL27656468 0.82 TRPV1 (0.66) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7522642 0.81 NPC1 (0.80) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL1829494 0.80 TRPV1 (0.60) RAB9ANPC1TDP1SMN1; SMN2LMNA
SCHEMBL5964783 0.80 ALDH1A1 (0.51) RAB9ANPC1TDP1MAPTLMNA
SCHEMBL1828989 0.78 PTPN1 (0.63) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL1929165 0.77 NPC1 (0.85) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL1828262 0.77 GRM4 (0.63) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-2319516-A1 Compounds for treating inflammatory and autoimmune disorders Synta Pharmaceuticals Corp. (US) 2011-05-11 EP disclosed
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 EP disclosed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO disclosed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 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 (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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885NPC1 142/4885MEN1 3865/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885NPC1 142/4885MEN1 3865/4885

“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.