SCHEMBL1294580

SCHEMBL1294580

CCCC(CC(=O)OCC)Nc1nc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1294578 1.00 MAPT (0.39) MAPTHTTLMNAKDM4EMAPK1
SCHEMBL16476673 0.83 TLR7 (0.38) MAPTKDM4EMAPK1ALDH1A1MEN1
SCHEMBL16238135 0.82 MAPT (0.56) MAPTHTTLMNAKDM4EMAPK1
SCHEMBL1294324 0.81 TLR7 (0.41) HTTKDM4EALDH1A1TLR7
SCHEMBL1294321 0.81 TLR7 (0.41) HTTKDM4EALDH1A1TLR7
SCHEMBL1294650 0.81 ALDH1A1 (0.42) MAPTHTTLMNAKDM4EMAPK1
SCHEMBL1294647 0.81 ALDH1A1 (0.42) MAPTHTTLMNAKDM4EMAPK1
SCHEMBL2311394 0.79 MAPT (0.53) MAPTLMNAKDM4EMAPK1NPC1
SCHEMBL2314528 0.78 KMT2A (0.46) MAPTLMNAKDM4EMAPK1NPC1
SCHEMBL2314530 0.78 KMT2A (0.46) MAPTLMNAKDM4EMAPK1NPC1

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
US-9062056-B2 Aza-benzimidazolone Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
EP-2364313-B1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-01-08 EP disclosed
US-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
EP-2364313-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-09-14 EP disclosed
WO-2010030500-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 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-20110269780-A1 AZA-BENZIMIDAZOLONE CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 MAPT 4298/4885HTT 4167/4885LMNA 1943/4885

“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.