SCHEMBL1706962

SCHEMBL1706962

CN(C)CCCCC(=O)Nc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.69
POLB P06746 1/20 0.53
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
TP53 P04637 1/20 0.50
KDM1A O60341 2/20 0.49
MAOA P21397 2/20 0.49

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
SCHEMBL1708339 0.84 POLB (0.57) LTA4HPOLBMAPTRAB9ANPC1
SCHEMBL5661162 0.80 LTA4H (0.73) LTA4HPOLBSMN1; SMN2SIRT2HDAC4
SCHEMBL9164909 0.79 MEN1 (0.54) POLBRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20683128 0.79 LTA4H (0.57) LTA4HPOLBMAPTRAB9ANPC1
SCHEMBL5582571 0.79 TGM2 (0.54) LTA4HPOLBMAPTTP53KDM1A
SCHEMBL247907 0.77 ALDH1A1 (0.53) LTA4HMAPTALDH1A1MAPK1SIGMAR1
SCHEMBL7228960 0.77 POLB (0.52) LTA4HPOLBMAPTRAB9ANPC1
SCHEMBL17350318 0.77 HTT (0.59) LTA4HSMN1; SMN2SIRT2GAATGM2
Benzyl Phenylcarbamate SCHEMBL1222943 0.77 POLB (0.78) POLBMAPTRAB9ANPC1ALDH1A1
SCHEMBL6895403 0.77 HTT (0.65) MAPTSMN1; SMN2TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365508-B2 Aroyl thiourea derivatives UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2016-06-14 US disclosed
EP-2440522-B1 AROYLTHIOUREA AND ARYLTHIOCARBONYLUREA DERIVATIVES UNIV DUNDEE (GB) 2014-11-12 EP disclosed
US-20120149778-A1 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE 2012-06-14 US disclosed
EP-2440522-A2 AROYLTHIOUREA AND ARYLTHIOCARBONYLUREA DERIVATIVES University Court of The University of Dundee (GB) 2012-04-18 EP disclosed
WO-2010142956-A2 COMPOUNDS UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-12-16 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 (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-20120149778-A1 COMPOUNDS AR, NR5A1, NAT1 LTA4H 1597/4885POLB 2188/4885MAPT 3373/4885

“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.