SCHEMBL21755745

SCHEMBL21755745

COC(=O)c1ccc(OC)cc1-n1cccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
NR4A2 P43354 1/20 0.46
GAA P10253 3/20 0.45
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 1/20 0.43
MYC P01106 1/20 0.43
PLA2G2A P14555 1/20 0.43
CYP3A4 P08684 2/20 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
SCHEMBL5784907 0.84 KDM4E (0.46) KDM4ENPSR1CYP1A2CYP2C19CYP2D6
SCHEMBL27469088 0.83 ALDH1A1 (0.59) KDM4ENPSR1GAAALDH1A1NPC1
SCHEMBL8876281 0.78 KMT2A (0.62) KDM4ECYP2C19CYP2C9GAAALDH1A1
SCHEMBL17172480 0.78 MYC (0.62) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL8854894 0.78 L3MBTL1 (0.56) KDM4EGAAALDH1A1NPC1L3MBTL1
SCHEMBL18639316 0.77 ALDH1A1 (0.53) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL382822 0.76 KDM4E (0.66) KDM4ENPSR1CYP1A2CYP2C19CYP2D6
SCHEMBL2949877 0.74 KDM4E (0.64) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
Methyl 2,4-Dimethoxybenzoate SCHEMBL645462 0.73 KMT2A (0.64) KDM4ECYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL11039827 0.73 KDM4E (0.43) KDM4ENPSR1CYP1A2CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 US disclosed
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same DREXEL UNIVERSITY 2020-02-27 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 (2 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-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 KDM4E 3082/4885NPSR1 293/4885CYP1A2 1744/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 KDM4E 3398/4885NPSR1 349/4885CYP1A2 3478/4885

“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.