SCHEMBL1768101

SCHEMBL1768101

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
AR P10275 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 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
SCHEMBL1768015 0.92 MAPT (0.54) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL9091623 0.89 MAPT (0.57) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL17054955 0.89 MAPT (0.51) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL16280744 0.88 MAPT (0.40) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL11038742 0.88 MAPT (0.54) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL17054881 0.86 MAPT (0.52) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL10379792 0.85 ALDH1A1 (0.47) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL9652014 0.85 MAPT (0.43) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL8129985 0.84 MAPT (0.54) MAPTCRHBPCRHR2KDM4ELMNA
SCHEMBL7720668 0.84 MAPT (0.64) MAPTCRHBPCRHR2KDM4ELMNA

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
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
CN-102648178-A Quinazoline derivatives MERCK PATENT GMBH 2012-08-22 CN 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.