SCHEMBL19783035

SCHEMBL19783035

COc1cc(/C=C/C(=O)c2ccc(Cl)cc2)ccc1NC(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 7/20 0.68
CXCR4 P61073 1/20 0.68
ABCG2 Q9UNQ0 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
RELA Q04206 1/20 0.59
MAOB P27338 2/20 0.57
MAOA P21397 1/20 0.57
TNFRSF1A P19438 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL19783034 0.88 CXCL12 (0.71) CXCL12CXCR4ABCG2MEN1KMT2A
SCHEMBL13613545 0.83 ABCG2 (0.86) CXCL12CXCR4ABCG2MEN1KMT2A
SCHEMBL19183376 0.83 ABCG2 (0.86) CXCL12CXCR4ABCG2MEN1KMT2A
SCHEMBL25194287 0.81 CXCL12 (1.00) CXCL12CXCR4
SCHEMBL30837249 0.81 CXCL12 (1.00) CXCL12CXCR4
SCHEMBL30837223 0.81 CXCL12 (0.76) CXCL12CXCR4ABCG2MEN1KMT2A
SCHEMBL25197185 0.81 CXCL12 (1.00) CXCL12CXCR4
SCHEMBL12662991 0.81 CXCL12 (1.00) CXCL12CXCR4
SCHEMBL31574491 0.81 CXCL12 (0.76) CXCL12CXCR4ABCG2MEN1KMT2A
SCHEMBL6645263 0.81 EPHX2 (0.65) ABCG2MEN1KMT2ARELAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-06-29 US disclosed
US-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2020-06-11 US disclosed
WO-2018011376-A1 PYRIMIDINONE DERIVATIVES AND USES THEREOF TO NEUTRALIZE THE BIOLOGICAL ACTIVITY OF CHEMOKINES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2018-01-18 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 (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-20200181093-A1 Pyrimidinone Derivatives and Uses Thereof to Neutralize the Biological Activity of Chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885CXCR4 12/4885ABCG2 2020/4885
US-11046657-B2 Pyrimidinone derivatives and uses thereof to neutralize the biological activity of chemokines CCL5, CXCR3, CXCL10 CXCL12 18/4885CXCR4 12/4885ABCG2 2020/4885

“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.