SCHEMBL1768015

SCHEMBL1768015

CCCCC(C(=O)OCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MGLL Q99685 2/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 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
SCHEMBL9091623 0.95 MAPT (0.57) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL1768101 0.92 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL17054881 0.89 MAPT (0.52) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL8370315 0.89 MAPT (0.45) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL16280745 0.89 MAPT (0.41) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL17054955 0.86 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL11038742 0.85 MAPT (0.54) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL11060688 0.85 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL11063250 0.85 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1LMNA
SCHEMBL11064795 0.85 MAPT (0.53) MAPTCRHBPCRHR2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102648178-B Quinazoline derivatives MERCK PATENT GMBH 2015-01-07 CN disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8906930-B2 Quinazoline derivatives MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
EP-2504314-A1 QUINAZOLINE DERIVATIVES Merck Patent GmbH (DE) 2012-10-03 EP disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
US-20120238582-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-20 US disclosed
WO-2011060873-A1 QUINAZOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-05-26 WO 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-20120238582-A1 QUINAZOLINE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 MAPT 2065/4885CRHBP 1815/4885CRHR2 1539/4885

“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.