SCHEMBL1200517

SCHEMBL1200517

Cc1nc(O)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.46
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 1/20 0.39
CTSB P07858 2/20 0.38
CTSH P09668 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
CYP3A4 P08684 2/20 0.38
ERN1 O75460 1/20 0.38
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GALR2 O43603 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL16321777 0.87 GPR35 (0.44) GPR35CYP1A2ALDH1A1CYP2D6CTSB
SCHEMBL38665481 0.85 CYP1A2 (0.44) GPR35CYP1A2ALDH1A1CYP2D6CTSB
SCHEMBL1558145 0.83 GPR35 (0.47) GPR35CYP1A2ALDH1A1CTSBCTSH
SCHEMBL31484446 0.81 CYP1A2 (0.42) GPR35CYP1A2ALDH1A1CYP2D6CTSB
SCHEMBL1201880 0.81 CYP1A2 (0.42) GPR35CYP1A2ALDH1A1CYP2D6CTSB
SCHEMBL16653830 0.80 ALDH1A1 (0.44) GPR35CYP1A2ALDH1A1CYP2D6CTSB
SCHEMBL16653792 0.80 CYP1A2 (0.41) GPR35CYP1A2ALDH1A1CYP2D6CTSB
SCHEMBL12913220 0.80 GPR35 (0.44) GPR35ALDH1A1CTSBCTSHHSP90AA1
SCHEMBL17164570 0.80 GPR35 (0.44) GPR35ALDH1A1CTSBCTSHHSP90AA1
SCHEMBL28113410 0.80 TSHR (0.41) GPR35CYP1A2ALDH1A1TSHRL3MBTL1

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 91 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
EP-4257591-A2 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2023-10-11 EP disclosed
EP-4257591-A2 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2023-10-11 EP disclosed
EP-3080100-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-11-30 EP disclosed
EP-3080100-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-11-30 EP disclosed
EP-3189038-B1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 CELGENE QUANTICEL RES INC (US) 2022-11-23 EP disclosed
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. 2022-10-06 US disclosed
CN-108135170-B Fungicidal compositions 先正达参股股份有限公司 2021-08-24 CN disclosed
US-11014889-B2 Fungicidal pyridylamidines SYNGENTA PARTICIPATIONS AG (CH) 2021-05-25 US disclosed
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2013-12-19 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
WO-2012146125-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2012-11-01 WO disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
CN-101657423-A Iminopyridine derivatives and their use as microbicides SYNGENTA LTD 2010-02-24 CN disclosed
EP-2125734-A2 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-12-02 EP disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 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 (5 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO GPR35 1989/4885CYP1A2 194/4885ALDH1A1 153/4885
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 GPR35 3300/4885CYP1A2 294/4885ALDH1A1 2543/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO GPR35 2012/4885CYP1A2 150/4885ALDH1A1 171/4885
US-11014889-B2 Fungicidal pyridylamidines PNPO, CBR3, C5 GPR35 2609/4885CYP1A2 17/4885ALDH1A1 1287/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 GPR35 3300/4885CYP1A2 294/4885ALDH1A1 2543/4885

“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.