SCHEMBL14029337

SCHEMBL14029337

Cc1cc([N+](=O)[O-])c(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
MAPT P10636 4/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 7/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
ALDH3A1 P30838 1/20 0.40
CYP2D6 P10635 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NLRP1 Q9C000 1/20 0.39

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
SCHEMBL5175796 0.92 MAPT (0.53) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL1770875 0.85 CYP1A2 (0.52) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL29399641 0.85 CYP1A2 (0.52) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL864403 0.84 CYP1A2 (0.59) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL2536509 0.84 MAPT (0.59) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL29495221 0.84 MAPT (0.59) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL30598678 0.82 MAPT (0.53) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL7759334 0.82 MAPT (0.53) CYP1A2MAPTPKMMAPK1ALDH1A1
SCHEMBL107162 0.82 TDP1 (0.50) CYP1A2MAPTPKMALDH1A1CYP3A4
SCHEMBL4397890 0.82 MAPT (0.53) CYP1A2MAPTPKMMAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3915971-A1 PHENYL-S(O)N-PHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES Bayer Aktiengesellschaft (DE) 2021-12-01 EP disclosed
CN-110087466-B Active compound combinations 拜耳作物科学股份公司 2021-11-09 CN disclosed
CN-107848959-B Halogen-substituted phenoxyphenylamidines and their use as fungicides 先正达农作物保护股份公司 2021-07-27 CN disclosed
EP-3554240-B1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2021-07-07 EP disclosed
US-10912297-B2 Phenoxyhalogenphenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-02-09 US disclosed
EP-3307707-B1 HALOGEN-SUBSTITUTED PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-10-07 EP disclosed
US-20200077648-A1 PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-03-12 US disclosed
US-20200068886-A1 HALOGEN-SUBSTITUTED PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION AG (CH) 2020-03-05 US disclosed
EP-3554240-A1 ACTIVE COMPOUND COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2019-10-23 EP disclosed
EP-3554241-A2 PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-10-23 EP disclosed
WO-2018108977-A1 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 WO disclosed
WO-2018108992-A2 PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-21 WO disclosed
EP-3335559-A1 ACTIVE COMPOUND COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2018-06-20 EP disclosed
US-20180153167-A1 HALOGEN-SUBSTITUTED PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES SYNGENTA CROP PROTECTION AG (CH) 2018-06-07 US disclosed
EP-3319937-A1 PHENOXYHALOGENPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-05-16 EP disclosed
EP-3307707-A1 HALOGEN-SUBSTITUTED PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-04-18 EP disclosed
WO-2017005710-A1 PHENOXYHALOGENPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-12 WO disclosed
WO-2016202742-A1 HALOGEN-SUBSTITUTED PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
CN-106083595-A The synthetic method of cancer therapy drug Ceritinib intermediate 2 chlorine (bromine) 4 fluorine 5 Methylnitrobenzene 常州安迪沃克医药科技有限公司 2016-11-09 CN disclosed
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes SMITHKLINE BEECHAM CORPORATION 2008-10-09 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 (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-10912297-B2 Phenoxyhalogenphenylamidines and the use thereof as fungicides DDT, PAH, CYP1A2 CYP1A2 3/4885MAPT 2393/4885PKM 522/4885
US-20180153167-A1 HALOGEN-SUBSTITUTED PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PFAS, DDT, PAH CYP1A2 6/4885MAPT 3663/4885PKM 483/4885
US-20200068886-A1 HALOGEN-SUBSTITUTED PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PFAS, DDT, PAH CYP1A2 6/4885MAPT 3663/4885PKM 483/4885
US-20200077648-A1 PHENOXYPHENYLAMIDINES AND THE USE THEREOF AS FUNGICIDES PAH, DPM1, PFAS CYP1A2 12/4885MAPT 1495/4885PKM 238/4885
US-20080249301-A1 Regioselective Process for Preparing Benzimidazole Thiophenes CYP3A4, CYP2C19, CYP2B6 CYP1A2 19/4885MAPT 2606/4885PKM 524/4885

“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.