SCHEMBL110364

SCHEMBL110364

O=C1C(Cc2ccccc2)NC(=S)N1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C19 P33261 1/20 1.00
ALDH1A1 P00352 1/20 0.82
MAPT P10636 3/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
ATM Q13315 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
KDM4E B2RXH2 1/20 0.65
POLB P06746 1/20 0.64
UBE2N P61088 1/20 0.64
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PLA2G10 O15496 1/20 0.48
PLA2G5 P39877 1/20 0.48
HTT P42858 1/20 0.45
PAX8 Q06710 1/20 0.45

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
SCHEMBL8291275 0.90 GAA (1.00) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL11398860 0.85 GAA (0.74) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL31305652 0.84 GAA (0.75) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL12877356 0.83 GAA (0.70) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9638165 0.82 GAA (0.70) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9638183 0.81 GAA (1.00) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9638547 0.81 GAA (1.00) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8291488 0.80 GAA (0.67) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL8290538 0.80 MAPT (1.00) GAACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL110306 0.79 GAA (0.65) GAACYP1A2CYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028684-B2 Separating agent for optical isomer DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-12 US disclosed
EP-2426492-A1 AGENT FOR RESOLUTION OF OPTICAL ISOMER Daicel Chemical Industries, Ltd. (JP) 2012-03-07 EP disclosed
US-20120007011-A1 Separating agent for optical isomer NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-01-12 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 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-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP GAA 227/4885CYP1A2 1126/4885CYP3A4 1506/4885

“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.