SCHEMBL17601641

SCHEMBL17601641

O=C(O)N(c1ccccc1)c1cc(Cl)c(F)cn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGIR P43119 4/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR Q13258 1/20 0.34
KMO O15229 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
AURKA O14965 1/20 0.33
LIPE Q05469 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2595407 0.75 NPSR1 (0.42) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL19714338 0.75 PTGIR (0.52) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL2090244 0.69 NPSR1 (0.47) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL16167096 0.69 ALDH1A1 (0.46) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL57851 0.69 TRPM8 (0.43) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL1034457 0.69 ALDH1A1 (0.48) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL17601640 0.69 PTGIR (0.41) RAB9AALDH1A1HTTKMT2APTGIR
SCHEMBL14300714 0.69 PTGIR (0.55) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL58311 0.68 RAB9A (0.47) NPSR1NPC1RAB9AALDH1A1POLB
SCHEMBL19714638 0.68 ALDH1A1 (0.46) NPSR1NPC1RAB9AALDH1A1POLB

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 NPSR1 3536/4885NPC1 3776/4885RAB9A 1244/4885

“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.