SCHEMBL425454

SCHEMBL425454

CN(C(=O)n1cnc(-c2cccc(NC(=N)N)c2)c1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.59
CES2 O00748 1/20 0.59
POLB P06746 3/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.41
USP19 O94966 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LCK P06239 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
MGLL Q99685 2/20 0.36
TRPA1 O75762 1/20 0.36
HPGD P15428 3/20 0.36

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
Hydrochloric Acid SCHEMBL445164 0.99 FAAH (0.58) FAAHCES2POLBRAB9AATM
SCHEMBL15559209 0.91 FAAH (0.59) FAAHCES2POLBRAB9AATM
SCHEMBL428300 0.85 F10 (0.45) FAAHCES2POLBALDH1A1
SCHEMBL427256 0.84 FAAH (0.65) FAAHCES2POLBRAB9AUSP19
SCHEMBL427164 0.83 FAAH (0.66) FAAHCES2POLBRAB9AUSP19
SCHEMBL424383 0.82 FAAH (0.74) FAAHCES2POLBRAB9AATM
SCHEMBL425885 0.82 FAAH (0.63) FAAHCES2RAB9AUSP19HDAC6
SCHEMBL428043 0.81 FAAH (0.51) FAAHCES2POLBHTTKDM4E
SCHEMBL15554007 0.81 FAAH (0.64) FAAHCES2POLBRAB9AUSP19
SCHEMBL424585 0.81 FAAH (0.67) FAAHCES2POLBRAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046654-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2021-06-29 US disclosed
US-20190135764-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2019-05-09 US disclosed
US-10023541-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2018-07-17 US disclosed
EP-2890684-B1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA S A (PT) 2018-02-14 EP disclosed
US-20170101381-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2017-04-13 US disclosed
US-9549915-B2 Urea compounds and their use as enzyme inhibitors BIAL-PORTELA & CA, S.A. (PT) 2017-01-24 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
EP-2890684-A2 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS Bial-Portela & CA, S.A. (PT) 2015-07-08 EP disclosed
US-20150174103-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL-PORTELA & CA, S.A. (PT) 2015-06-25 US disclosed
WO-2014017936-A2 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS BIAL- PORTELA & CA, S.A. (PT) 2014-01-30 WO disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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 (6 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-11046654-B2 Urea compounds and their use as enzyme inhibitors ACHE, GAA, GYS2 FAAH 281/4885CES2 5/4885POLB 1423/4885
US-10023541-B2 Urea compounds and their use as enzyme inhibitors ACHE, GAA, GYS2 FAAH 281/4885CES2 5/4885POLB 1423/4885
US-20190135764-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS ACHE, GAA, GYS2 FAAH 281/4885CES2 5/4885POLB 1423/4885
US-20170101381-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS ACHE, GAA, GYS2 FAAH 281/4885CES2 5/4885POLB 1423/4885
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885CES2 62/4885POLB 2792/4885
US-20150174103-A1 UREA COMPOUNDS AND THEIR USE AS ENZYME INHIBITORS ACHE, GAA, GYS2 FAAH 281/4885CES2 5/4885POLB 1423/4885

“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.