SCHEMBL1827200

SCHEMBL1827200

Cc1nc(C)c(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
RECQL P46063 1/20 0.63
NPC1 O15118 5/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 1/20 0.52
AHR P35869 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PPARA Q07869 1/20 0.46
F10 P00742 3/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
NR1H4 Q96RI1 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 1/20 0.45
BACE1 P56817 1/20 0.44

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
SCHEMBL8302044 0.84 RAB9A (0.71) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL2784708 0.82 F2 (0.41) RAB9ARECQLNPC1MAPTPPARA
SCHEMBL10213380 0.80 RAB9A (0.53) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL23602 0.79 RAB9A (1.00) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL27971148 0.77 DHODH (0.60) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL5964783 0.76 ALDH1A1 (0.51) RAB9ANPC1MAPTPPARAF10
SCHEMBL16363155 0.75 GAA (0.49) MAPTSMN1; SMN2F10F2PRSS1
SCHEMBL27656468 0.75 TRPV1 (0.66) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL13210663 0.75 RAB9A (0.59) RAB9ARECQLNPC1MAPTSMN1; SMN2
SCHEMBL1828192 0.74 RAB9A (0.65) RAB9ANPC1MAPTSMN1; SMN2TP53

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 8 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-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 1725/4885RECQL 4472/4885NPC1 142/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885RECQL 4472/4885NPC1 142/4885

“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.