SCHEMBL1708339

SCHEMBL1708339

O=C(CCCCBr)Nc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
TRPV1 Q8NER1 1/20 0.53
LTA4H P09960 4/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM1A O60341 3/20 0.52
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
HDAC4 P56524 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC7 Q8WUI4 5/20 0.51
HDAC11 Q96DB2 5/20 0.51
HDAC8 Q9BY41 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC9 Q9UKV0 5/20 0.51
HDAC5 Q9UQL6 5/20 0.51
HDAC3 O15379 4/20 0.51

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
SCHEMBL1706962 0.84 LTA4H (0.69) POLBTRPV1LTA4HTP53MAPT
SCHEMBL8157378 0.83 MAPT (0.60) POLBMAPTKMT2AHDAC4HDAC1
SCHEMBL31203466 0.81 HDAC4 (0.69) LTA4HHDAC4HDAC1HDAC7HDAC11
SCHEMBL16398136 0.81 MAPT (0.67) POLBTRPV1LTA4HMAPTKMT2A
SCHEMBL8178246 0.80 HDAC4 (0.72) LTA4HHDAC4HDAC1HDAC7HDAC11
SCHEMBL4837637 0.80 HDAC4 (0.72) LTA4HHDAC4HDAC1HDAC7HDAC11
SCHEMBL14934835 0.80 HDAC4 (0.72) LTA4HHDAC4HDAC1HDAC7HDAC11
Benzyl Phenylcarbamate SCHEMBL1222943 0.80 POLB (0.78) POLBTP53MAPTRAB9AKDM1A
SCHEMBL1160190 0.80 POLB (0.61) POLBTP53MAPTRAB9AGAA
SCHEMBL9164909 0.80 MEN1 (0.54) POLBRAB9AKMT2AHDAC1HDAC8

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 POLB 2188/4885TRPV1 1425/4885LTA4H 1597/4885

“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.