SCHEMBL1946591

SCHEMBL1946591

O=C(CNC(=O)c1ccc2cc3cccccc-3c2c1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
EGFR P00533 2/20 0.47
NR1H4 Q96RI1 3/20 0.47
PLAU P00749 1/20 0.46
EPHX2 P34913 2/20 0.46
CFD P00746 1/20 0.45
HDAC1 Q13547 1/20 0.45
TACR3 P29371 1/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL1944614 0.86 MMP1 (0.51) HDAC1HDAC2HDAC8HDAC6
SCHEMBL1948127 0.83 SPHK2 (0.45) ALDH1A1KDM4EHPGDNR1H4PLAU
SCHEMBL1945585 0.79 RAB9A (0.54) ALDH1A1HPGDEPHX2
SCHEMBL1945575 0.77 POLB (0.52) KDM4EHPGD
SCHEMBL21773960 0.76 HDAC6 (0.62) ALDH1A1HPGDHDAC1HDAC2HDAC8
SCHEMBL1670902 0.76 CHRNB2 (0.73) ALDH1A1KDM4EHPGDCHRNB2CHRNB4
SCHEMBL11902028 0.73 NR1H4 (0.79) ALDH1A1HPGDNR1H4PLAUHDAC1
SCHEMBL8213132 0.72 SLC6A9 (0.60) HPGDHDAC1HDAC2HDAC8HDAC6
SCHEMBL28469679 0.72 NR1H4 (0.60) ALDH1A1KDM4ENR1H4HDAC1MAPK1
SCHEMBL15764498 0.71 ADAMTS5 (0.65) ALDH1A1EGFRNR1H4EPHX2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130414-A1 NOVEL FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TORRENT PHARMACEUTICALS LIMITED (IN) 2011-06-02 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 (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-20110130414-A1 NOVEL FUSED THIAZOLO AND OXAZOLO PYRIMIDINONES TPMT, ABCG2, TALDO1 ALDH1A1 1158/4885KDM4E 4481/4885HPGD 1237/4885

“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.