SCHEMBL354059

SCHEMBL354059

NC(Cl)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.50
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPK1 P28482 1/20 0.49
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ACHE P22303 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMAD3 P84022 1/20 0.44
P4HB P07237 1/20 0.42
MAPK9 P45984 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42

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
SCHEMBL7487283 0.83 CYP3A4 (0.51) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2661346 0.83 SLC6A4 (0.53) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3704721 0.80 TAAR1 (0.56) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL10823820 0.80 CYP3A4 (0.51) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL16325098 0.80 TAAR1 (0.56) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL1254034 0.80 TAAR1 (0.56) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL29186227 0.80 CYP3A4 (0.49) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL108101 0.79 CYP3A4 (0.55) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL25420079 0.78 TAAR1 (0.54) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL17476761 0.78 TAAR1 (0.54) SLC6A4CYP3A4CYP1A2CYP2D6CYP2C9

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
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA SLC6A4 2890/4885CYP3A4 1232/4885CYP1A2 2181/4885

“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.