SCHEMBL13640667

SCHEMBL13640667

CC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ABCB1 P08183 1/20 0.48
F10 P00742 3/20 0.47
KCNH2 Q12809 1/20 0.47
SNCA P37840 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR1F P30939 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL5232592 0.88 HCAR3 (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14099845 0.87 F10 (0.59) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13321622 0.87 ABCB1 (0.52) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5238948 0.87 SMN1; SMN2 (0.50) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7918493 0.83 KDM4E (0.46) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7924155 0.82 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7924792 0.82 ABCB1 (0.47) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13321619 0.82 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5233565 0.79 HCAR3 (0.56) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5237696 0.78 KDM4E (0.54) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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 KDM4E 2266/4885NPC1 199/4885RAB9A 1852/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 KDM4E 2266/4885NPC1 199/4885RAB9A 1852/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 KDM4E 895/4885NPC1 640/4885RAB9A 2084/4885

“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.