SCHEMBL13640665

SCHEMBL13640665

CC(=O)c1ccc(NC(=O)c2c(F)cccc2F)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
HSD17B10 Q99714 1/20 0.50
IL2 P60568 2/20 0.49
HCAR3 P49019 1/20 0.49
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
BRD4 O60885 1/20 0.47
LMNA P02545 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47

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
SCHEMBL7929734 0.86 MEN1 (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7924572 0.85 MEN1 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13321611 0.83 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7930076 0.83 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13838445 0.81 KMT2A (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15793319 0.81 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13728275 0.81 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL15793321 0.81 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7922969 0.81 MEN1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2728441 0.79 NPC1 (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 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 (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-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 MEN1 4111/4885KMT2A 4100/4885SMN1; SMN2 4828/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 MEN1 4111/4885KMT2A 4100/4885SMN1; SMN2 4828/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 MEN1 4140/4885KMT2A 3976/4885SMN1; SMN2 4784/4885

“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.