SCHEMBL17894552

SCHEMBL17894552

N=C(N)NCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.63
MRGPRX1 Q96LB2 1/20 0.63
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAOB P27338 2/20 0.54
F2 P00734 1/20 0.54

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 SCHEMBL8202366 0.98 MRGPRX1 (0.61) BCHEMRGPRX1GAAMAPTMEN1
Trifluoroacetic Acid SCHEMBL17894352 0.89 MRGPRX1 (0.53) BCHEMRGPRX1PRSS1PRSS2PRSS3
SCHEMBL17894482 0.86 MAOB (0.57) BCHEKMT2ALMNACYP2C19MAOB
SCHEMBL21947973 0.85 TSHR (0.52) BCHEMRGPRX1GAAMAPTMEN1
SCHEMBL17894483 0.85 BCHE (0.63) BCHEGAAMAPTMEN1BLM
SCHEMBL3425867 0.84 BCHE (0.63) BCHEMRGPRX1GAAMAPTMEN1
Bromide SCHEMBL28570914 0.84 TSHR (0.50) BCHEMRGPRX1GAAMAPTMEN1
SCHEMBL17894476 0.83 MAOB (0.63) CYP1A2CYP2C19MAOBF2MAOA
SCHEMBL45768 0.83 CA12 (0.57) GAAMAPTMEN1KMT2ALMNA
SCHEMBL5670675 0.82 HPGD (0.53) GAAMEN1KMT2ALMNAPARP10

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 BCHE 258/4885MRGPRX1 365/4885GAA 426/4885

“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.