SCHEMBL8438487

SCHEMBL8438487

O=C([CH]C(F)(F)F)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CES1 P23141 3/20 0.52
AKT1 P31749 1/20 0.52
NFE2L2 Q16236 1/20 0.50
MAOB P27338 2/20 0.47
CYP1B1 Q16678 2/20 0.47
RECQL P46063 2/20 0.47
PLIN1 O60240 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
PLIN5 Q00G26 2/20 0.47
ABHD5 Q8WTS1 2/20 0.47
BCHE P06276 1/20 0.47
TNFRSF1A P19438 1/20 0.47
ACHE P22303 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A1 P04798 1/20 0.44

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
SCHEMBL28355230 0.78 AKT1 (0.54) ALDH1A1MAPK1TDP1CES1AKT1
SCHEMBL26959426 0.78 AKT1 (0.54) ALDH1A1MAPK1TDP1CES1AKT1
SCHEMBL11008184 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1TDP1CES1AKT1
SCHEMBL8521976 0.77 ALDH1A1 (0.53) ALDH1A1TDP1CYP1B1LMNAMAPT
SCHEMBL23978379 0.74 NFE2L2 (0.57) ALDH1A1MAPK1TDP1CES1AKT1
SCHEMBL12900918 0.74 NFE2L2 (0.57) ALDH1A1MAPK1TDP1CES1AKT1
SCHEMBL7361299 0.74 NFE2L2 (0.57) ALDH1A1MAPK1TDP1CES1AKT1
SCHEMBL29116567 0.74 NFE2L2 (0.57) ALDH1A1MAPK1TDP1CES1AKT1
SCHEMBL7361301 0.74 NFE2L2 (0.57) ALDH1A1MAPK1TDP1CES1AKT1
SCHEMBL5191455 0.73 ALDH1A1 (0.61) ALDH1A1MAPK1TDP1CES1AKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060549-B1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAE WOONG PHARMA (KR) 2019-02-13 EP claimed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US claimed
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-10-20 US claimed
EP-3060549-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2016-08-31 EP claimed
WO-2015060613-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-30 WO claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed
EP-3060549-B1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAE WOONG PHARMA (KR) 2019-02-13 EP disclosed
US-9617216-B2 Antifungal oxodihydropyridinecarbohydrazide derivative DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2017-04-11 US disclosed
US-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2016-10-20 US disclosed
EP-3060549-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE Daewoong Pharmaceutical Co., Ltd. (KR) 2016-08-31 EP disclosed
CN-103874742-B Carbazolocarbazole-bis (dicarboximides) and their use as semiconductors 巴斯夫欧洲公司 2016-08-17 CN disclosed
WO-2015060613-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-30 WO disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
CN-1230943-A Process for the preparation of aryl-beta-diketones, aryl-pyrimidinones and crop protection intermediates ZENECA LTD (GB) 1999-10-06 CN disclosed
US-5925795-A Processes for the preparation of aryl-β-diketones, arylpyrimidine ketones and crop protection intermediates ZENECA LIMITED (GB) 1999-07-20 US disclosed
US-5707930-A HERBICIDES, AGRICULTURE ZENECA LIMITED (GB) 1998-01-13 US disclosed
CN-1109057-A Imidazopyridazine MERCK PATENT GMBH (DE) 1995-09-27 CN disclosed
US-5242928-A Angiotensin II antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-09-07 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 (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-20160304460-A1 NOVEL ANTIFUNGAL OXODIHYDROPYRIDINECARBOHYDRAZIDE DERIVATIVE PITHD1, HPD, QDPR ALDH1A1 773/4885MAPK1 4192/4885TDP1 1802/4885

“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.