SCHEMBL1671508

SCHEMBL1671508

O=C(O)c1cncc([N+](=O)[O-])c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.44
TSHR P16473 2/20 0.41
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR35 Q9HC97 1/20 0.38
CASP6 P55212 2/20 0.37
DNA2 P51530 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
MEN1 O00255 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
SCHEMBL30470782 0.86 ALDH1A1 (0.40) POLBALDH1A1LMNAMAPK1HTT
SCHEMBL28007091 0.86 ALDH1A1 (0.40) POLBALDH1A1LMNAMAPK1HTT
SCHEMBL12341859 0.80 ALDH1A1 (0.49) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL2485439 0.80 DTYMK (0.45) DTYMKTSHRPOLBL3MBTL1ALDH1A1
SCHEMBL1245686 0.79 TSHR (0.57) DTYMKTSHRPOLBL3MBTL1ALDH1A1
SCHEMBL15371478 0.79 TSHR (0.45) DTYMKTSHRPOLBL3MBTL1ALDH1A1
SCHEMBL15758062 0.78 HCAR2 (0.46) TSHRPOLBL3MBTL1ALDH1A1LMNA
SCHEMBL4351783 0.75 ALDH1A1 (0.49) TSHRALDH1A1LMNAMAPK1HTT
SCHEMBL6221966 0.74 DTYMK (0.50) DTYMKTSHRPOLBL3MBTL1ALDH1A1
SCHEMBL2896179 0.74 DTYMK (0.46) DTYMKTSHRALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102321081-B Preparation method of substituted enaminocarbonyl compound used as insecticide and intermediate BAYER CROPSCIENCE AG 2015-05-20 CN disclosed
CN-104507473-A Antiviral drug for treatment of arenavirus infection SIGA TECHNOLOGIES INC 2015-04-08 CN disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 DTYMK 4537/4885TSHR 2468/4885POLB 2618/4885

“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.