SCHEMBL2793620

SCHEMBL2793620

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
USP30 Q70CQ3 5/20 0.41
UCHL1 P09936 2/20 0.41
GCK P35557 1/20 0.39
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36

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
SCHEMBL2793622 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMAPTUSP30UCHL1
SCHEMBL13179251 0.91 USP30 (0.44) ALDH1A1LMNAMAPTUSP30UCHL1
SCHEMBL12566975 0.91 PRMT5 (0.43) ALDH1A1LMNAMAPTGCKNPC1
SCHEMBL883261 0.90 USP30 (0.43) ALDH1A1LMNAMAPTUSP30UCHL1
SCHEMBL883274 0.90 USP30 (0.43) ALDH1A1LMNAMAPTUSP30UCHL1
SCHEMBL16199205 0.88 NR1I2 (0.43) ALDH1A1LMNAMAPTUSP30GCK
SCHEMBL1983248 0.88 ALDH1A1 (0.41) ALDH1A1LMNAMAPTUSP30UCHL1
SCHEMBL1983247 0.88 ALDH1A1 (0.41) ALDH1A1LMNAMAPTUSP30UCHL1
SCHEMBL1987265 0.88 ALDH1A1 (0.41) ALDH1A1LMNAMAPTUSP30UCHL1
SCHEMBL1987266 0.88 ALDH1A1 (0.41) ALDH1A1LMNAMAPTUSP30UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367824-B1 Anti-viral derivatives of pyrimidine ABBVIE INC (US) 2016-03-23 EP disclosed
US-9163017-B2 Anti-viral compounds ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140213601-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-07-31 US disclosed
US-8541424-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2013-09-24 US disclosed
US-20100168138-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-07-01 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 (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-20100168138-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885
US-20140213601-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885LMNA 3118/4885MAPT 2833/4885

“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.