SCHEMBL1945575

SCHEMBL1945575

O=C(NCC(=O)N1CCCC1)c1ccc2cc3cccccc-3c2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
P2RY12 Q9H244 1/20 0.50
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.46
TSHR P16473 2/20 0.46
THRA P10827 1/20 0.44
EIF4H Q15056 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 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
SCHEMBL1948127 0.81 SPHK2 (0.45) GAAKDM4EHPGD
SCHEMBL1944614 0.80 MMP1 (0.51)
SCHEMBL13058919 0.79 RAB9A (0.59) SMN1; SMN2KMT2ARAB9ATSHRKDM4E
SCHEMBL1442608 0.77 RAB9A (0.70) GAASMN1; SMN2KMT2ARAB9ATSHR
SCHEMBL1945585 0.77 RAB9A (0.54) GAASMN1; SMN2KMT2ARAB9AHPGD
SCHEMBL1672799 0.77 TSHR (0.55) POLBSMN1; SMN2KMT2ARAB9ATSHR
SCHEMBL1946591 0.77 ALDH1A1 (0.50) KDM4EHPGD
SCHEMBL3275319 0.76 RAB9A (0.68) GAASMN1; SMN2KMT2ARAB9ATSHR
SCHEMBL30182835 0.72 RAB9A (0.69) POLBGAASMN1; SMN2P2RY12KMT2A
SCHEMBL13058939 0.71 RAB9A (0.67) POLBGAASMN1; SMN2KMT2ARAB9A

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 POLB 2744/4885GAA 1464/4885SMN1; SMN2 2617/4885

“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.