SCHEMBL17601640

SCHEMBL17601640

O=C(O)N(c1ccc(Cl)cc1)c1ccc(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.41
BCL2A1 Q16548 1/20 0.39
FFAR2 O15552 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
LTC4S Q16873 1/20 0.37
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VNN1 O95497 1/20 0.35
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
NR3C1 P04150 1/20 0.34
BRD4 O60885 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL19714338 0.86 PTGIR (0.52) PTGIRKMT2ARAB9AALDH1A1HTT
SCHEMBL3653802 0.71 MAP4K4 (0.36) KMT2ARAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL15173773 0.70 HCAR3 (0.38) PTGIRKMT2ASMN1; SMN2MEN1
SCHEMBL2096920 0.69 NPSR1 (0.54) PTGIRKMT2ALMNARAB9ASMN1; SMN2
SCHEMBL59042 0.69 PPARG (0.40) LTC4SKMT2AGPBAR1MEN1
SCHEMBL17601641 0.69 NPSR1 (0.38) PTGIRKMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL3655649 0.68 RAB9A (0.36) KMT2ALMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL3646652 0.67 KDM4E (0.42) KMT2ARAB9ACYP3A4MEN1
SCHEMBL10949772 0.67 KMT2A (0.44) LTC4SKMT2ARAB9ASMN1; SMN2VNN1
SCHEMBL57851 0.67 TRPM8 (0.43) PTGIRKMT2ARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 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 (1 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PTGIR 2680/4885BCL2A1 833/4885FFAR2 2359/4885

“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.