SCHEMBL21891779

SCHEMBL21891779

O=C=NCCOC(=O)C(Cc1c[nH]c2ccccc12)N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 3/20 0.45
POLB P06746 2/20 0.45
APAF1 O14727 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MPO P05164 1/20 0.45
TSHR P16473 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 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
SCHEMBL30661929 0.81 SMN1; SMN2 (0.62) MIFMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27367040 0.81 SMN1; SMN2 (0.62) MIFMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27829210 0.80 KDM4E (0.56) MIFMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21891734 0.77 CHRM1 (0.40) MIFPKM
SCHEMBL12949464 0.72 HTR2A (0.56) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL11162307 0.70 MAPT (0.50) MIFMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29201361 0.70 MIF (0.68) MIFMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL21891731 0.70 CYP3A4 (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL9664786 0.69 MEN1 (0.56) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2945687 0.69 SMN1; SMN2 (0.67) MAPTMEN1KMT2ASMN1; SMN2LMNA

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 MIF 4079/4885MAPT 2725/4885MEN1 2818/4885
US-10968168-B2 Isocyanate production method IDH3A, ALKBH3, CPS1 MIF 4079/4885MAPT 2725/4885MEN1 2818/4885

“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.