SCHEMBL17894482

SCHEMBL17894482

N=C(N)NCc1ccc(OCc2ccc(Cl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
LMNA P02545 2/20 0.53
F2 P00734 2/20 0.53
APP P05067 1/20 0.53
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TMPRSS6 Q8IU80 1/20 0.53
ST14 Q9Y5Y6 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
NR4A2 P43354 1/20 0.51
BCHE P06276 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CCR6 P51684 1/20 0.50
UBE2N P61088 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOA P21397 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
Trifluoroacetic Acid SCHEMBL17894405 0.89 NR4A2 (0.51) MAOBNPC1RAB9ANR4A2BCHE
SCHEMBL17894552 0.86 BCHE (0.63) MAOBLMNAF2PRSS1PRSS2
SCHEMBL4018773 0.85 CYP2C9 (0.66) NPC1RAB9AKMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8202366 0.85 MRGPRX1 (0.61) MAOBLMNAF2PRSS1PRSS2
SCHEMBL17894439 0.85 HTT (0.57) MAOBF2NPC1RAB9ANR4A2
SCHEMBL17894476 0.85 MAOB (0.63) MAOBF2NPC1RAB9AMAOA
SCHEMBL17894442 0.84 MAOB (0.48) MAOBF2PRSS1PRSS2PRSS3
SCHEMBL17894484 0.82 MAOB (0.57) MAOBLMNAF2APPPRSS1
SCHEMBL14599602 0.80 PRSS1 (0.44) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL17894411 0.78 ALDH1A1 (0.59) LMNAF2PRSS1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US claimed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP claimed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO claimed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB MAOB 56/4885LMNA 2048/4885F2 274/4885

“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.