SCHEMBL7052087

SCHEMBL7052087

COC(=O)NCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.43
EPHX2 P34913 1/20 0.43
HTR2A P28223 1/20 0.41
GAA P10253 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FABP5 Q01469 1/20 0.40

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
SCHEMBL9813388 0.85 KMT2A (0.48) KMT2APOLBEPHX2GAAHDAC3
SCHEMBL28099492 0.85 KMT2A (0.48) KMT2APOLBEPHX2HTR2AHDAC3
SCHEMBL3637629 0.84 MALT1 (0.47) KMT2A
SCHEMBL28340787 0.84 KMT2A (0.42) KMT2APOLBEPHX2HTR2AHDAC3
SCHEMBL21895871 0.82 MTNR1A (0.49) KMT2APOLBHTR2AHDAC3HDAC4
SCHEMBL29960832 0.82 HTR2A (0.58) HTR2AHDAC4HDAC7HDAC5
SCHEMBL1567087 0.80 HTR2A (0.45) KMT2AEPHX2HTR2AHDAC3HDAC4
SCHEMBL88302 0.80 HTR2A (0.45) KMT2AHTR2AHDAC3HDAC4HDAC7
SCHEMBL29579635 0.80 HTR2A (0.45) KMT2AHTR2AHDAC3HDAC4HDAC7
SCHEMBL11586182 0.80 EGFR (0.36) KMT2AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP claimed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US claimed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 WO claimed
CN-110214141-B Benzodiazolium compounds as ENaC inhibitors 企业治疗学有限公司 2022-05-31 CN disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
EP-1301527-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2003-04-16 EP disclosed
US-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2002008251-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS CORVAS INTERNATIONAL, INC. (US) 2002-01-31 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 (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-20020068702-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, TMPRSS15, TMPRSS11D KMT2A 3141/4885POLB 4360/4885EPHX2 3195/4885

“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.