SCHEMBL4539627

SCHEMBL4539627

CC(N=C=Nc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.39
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTGS2 P35354 1/20 0.36
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
TRPA1 O75762 1/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 3/20 0.34
RAB9A P51151 3/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
JAK2 O60674 1/20 0.34
S1PR4 O95977 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4539625 1.00 MIF (0.39) MIFCYP1A2GAACYP2C9PKM
SCHEMBL1007787 0.79 MIF (0.44) MIFMAPK1NOS3NOS1ALDH1A1
SCHEMBL18479689 0.73 MIF (0.39) MIFTRPA1LMNANOS3NOS1
SCHEMBL8891449 0.73 PTGS2 (0.42) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL156948 0.71 MIF (0.60) MIFCYP1A2PKMCYP2C19TRPA1
Bromobenzene SCHEMBL27485724 0.70 ALDH1A1 (0.39) CYP1A2CYP2C19PTGS2LMNARAB9A
SCHEMBL4531745 0.70
SCHEMBL28553516 0.69 CYP1A2 (0.50) CYP1A2PTGS2CYP2D6SRCTRPA1
Benzene SCHEMBL7919589 0.69 MIF (0.43) MIFTRPA1
SCHEMBL1009084 0.68 MIF (0.50) MIFCYP1A2PKMCYP2C19CYP2D6

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-8314121-B2 Imidazolone derivatives, preparation thereof as drugs, pharmaceutical compositions, and use thereof as protein kinase inhibitors, in particular CDC7 SANOFI (FR) 2012-11-20 US disclosed
US-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 SANOFI-AVENTIS (FR) 2009-10-08 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-20090253679-A1 NEW IMIDAZOLONE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS, AND USE THEREOF AS PROTEIN KINASE INHIBITORS, IN PARTICULAR CDC7 CDC7, CDK7, CDK17 MIF 1078/4885CYP1A2 2981/4885GAA 2743/4885

“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.