SCHEMBL9975303

SCHEMBL9975303

C/C(=N\OCC(=O)NCCO)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
FAAH O00519 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL20034720 0.85 MAPT (0.43) SMN1; SMN2LMNAHPGDALDH1A1L3MBTL1
SCHEMBL6980315 0.82 LMNA (0.41) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL6961038 0.77 RAB9A (0.39) RAB9ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL15304835 0.74 LMNA (0.36) RAB9ASMN1; SMN2LMNAHPGDALDH1A1
SCHEMBL12269633 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24883645 0.73 RAB9A (0.49) RAB9ASMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL17324235 0.72
SCHEMBL9911437 0.71 RAB9A (0.50) RAB9ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL21389639 0.70 RAB9A (0.40) RAB9ALMNAHPGDALDH1A1MAPT
SCHEMBL16358789 0.68 RAB9A (0.47) RAB9ASMN1; SMN2LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 RAB9A 735/4885SMN1; SMN2 4182/4885LMNA 4634/4885

“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.