SCHEMBL21702346

SCHEMBL21702346

COCc1nc(NC(C)(C)ON=O)sc1C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 3/20 0.31
TSHR P16473 2/20 0.31
GFER P55789 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL4762263 0.78 L3MBTL1 (0.33) KMT2AL3MBTL1POLBALDH1A1HPGD
SCHEMBL3119963 0.69 POLB (0.40) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL2444646 0.69 L3MBTL1 (0.46) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL12158176 0.65 MAPT (0.53) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL12158116 0.64 MAPT (0.42) KMT2AMEN1POLBALDH1A1RAB9A
SCHEMBL4291781 0.63 ALDH1A1 (0.48) KMT2AMEN1L3MBTL1POLBALDH1A1
SCHEMBL6336484 0.63 TRPM8 (0.66) KMT2AMEN1L3MBTL1ALDH1A1RAB9A
SCHEMBL4297568 0.62 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL5520453 0.61 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL3618427 0.60 ALDH1A1 (0.41) KMT2AMEN1L3MBTL1POLBALDH1A1

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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 KMT2A 2626/4885MEN1 3612/4885L3MBTL1 1760/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP KMT2A 3463/4885MEN1 3958/4885L3MBTL1 2565/4885

“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.