SCHEMBL21891734

SCHEMBL21891734

O=C=NCCOC(=O)C(Cc1ccccc1)N=C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.40
MIF P14174 1/20 0.37
CYP1A2 P05177 1/20 0.37
CPA1 P15085 3/20 0.36
CPA3 P15088 2/20 0.36
CPB1 P15086 1/20 0.36
CPB2 Q96IY4 1/20 0.36
SRR Q9GZT4 2/20 0.36
EPHX1 P07099 1/20 0.36
MME P08473 1/20 0.35
ALPI P09923 1/20 0.35
PKM P14618 1/20 0.35
PTGS1 P23219 1/20 0.35
XIAP P98170 1/20 0.35
SLC7A5 Q01650 1/20 0.35
MDM2 Q00987 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TRPA1 O75762 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
SCHEMBL7266845 0.82 ALDH1A1 (0.46) MIFCYP1A2TDP1
SCHEMBL7266856 0.82 ALDH1A1 (0.46) MIFCYP1A2TDP1
SCHEMBL279730 0.81 MMP8 (0.51) MIFPKMPPARGMMP8
SCHEMBL7882113 0.81 MMP8 (0.51) MIFPKMPPARGMMP8
SCHEMBL820965 0.80 MIF (0.56) MIFPPARGPPARA
SCHEMBL5399978 0.80 MIF (0.56) MIFPPARGPPARA
SCHEMBL135996 0.80 MIF (0.56) MIFPPARGPPARA
SCHEMBL28122854 0.78 PPARG (0.40) MIFCYP1A2SRRALPIPKM
SCHEMBL12484995 0.78 MIF (0.48) MIFMMETDP1
SCHEMBL21891779 0.77 MIF (0.47) MIFPKM

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-10968168-B2 Isocyanate production method ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-04-06 US disclosed
US-20200115327-A1 ISOCYANATE PRODUCTION METHOD ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-04-16 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-20200115327-A1 ISOCYANATE PRODUCTION METHOD IDH3A, ALKBH3, CPS1 CHRM1 3650/4885MIF 4079/4885CYP1A2 184/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 CHRM1 3650/4885MIF 4079/4885CYP1A2 184/4885

“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.