SCHEMBL1945585

SCHEMBL1945585

O=C(CNC(=O)c1ccc2cc3cccccc-3c2c1)NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAOK1 Q7L7X3 1/20 0.45
TAOK3 Q9H2K8 1/20 0.45
GAA P10253 1/20 0.44
CCR2 P41597 3/20 0.44
EPHX2 P34913 1/20 0.44
HPGD P15428 1/20 0.43

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 0.82 MMP1 (0.51)
SCHEMBL1946591 0.79 ALDH1A1 (0.50) ALDH1A1EPHX2HPGD
SCHEMBL1670666 0.78 KMT2A (0.67) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1948127 0.78 SPHK2 (0.45) ALDH1A1GAAEPHX2HPGD
SCHEMBL1945586 0.77 MEN1 (0.44) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1945575 0.77 POLB (0.52) RAB9AKMT2ASMN1; SMN2GAAHPGD
SCHEMBL10131753 0.75 CCR2 (0.56) RAB9AALDH1A1MEN1KMT2ATAOK1
SCHEMBL16607158 0.69 KMT2A (0.67) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5650437 0.69 MEN1 (0.58) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10131857 0.69 RAB9A (0.67) RAB9ACCR2HPGD

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 RAB9A 2924/4885ALDH1A1 1158/4885MEN1 2163/4885

“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.