SCHEMBL4032867

SCHEMBL4032867

CC(C)(C)OC(=O)Nc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
LTA4H P09960 3/20 0.50
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
TOP2A P11388 1/20 0.47
TOP2B Q02880 1/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ADAMTS4 O75173 1/20 0.47
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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
SCHEMBL7143402 0.91 MEN1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9164926 0.90 FAAH (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL29910262 0.90 PDK1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL22920172 0.90 PDK1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12579437 0.89 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7138791 0.88 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2987817 0.88 RAB9A (0.74) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15828843 0.87 MEN1 (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL851778 0.84 EGLN2 (0.52) NPC1RAB9ASMN1; SMN2SIRT2ADAMTS4
SCHEMBL851317 0.83 FFAR1 (0.51) SIRT2ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444211-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP 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 (2 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 NPC1 4408/4885RAB9A 978/4885SMN1; SMN2 4731/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 NPC1 4538/4885RAB9A 464/4885SMN1; SMN2 4856/4885

“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.