SCHEMBL2096095

SCHEMBL2096095

O=CNc1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL2098161 0.84 TSHR (0.41) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL7527600 0.82 EPHX2 (0.44) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL29542656 0.81 RXFP1 (0.40) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL8952231 0.81 TAS2R14 (0.51) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL27834660 0.80 POLB (0.46) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL2092044 0.79 TSHR (0.43) POLBALDH1A1TDP1MAPTKMT2A
SCHEMBL8601771 0.79 POLB (0.53) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL11616035 0.77 ALDH1A1 (0.38) POLBALDH1A1TDP1L3MBTL1KDM4E
SCHEMBL30527294 0.77 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2NPC1MAPT
SCHEMBL8763290 0.77 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
US-4008278-A FROM AN AMINO-BENZOTRIFLUORIDE AND A HALOGEN SOURCE OLIN CORPORATION (US) 1977-02-15 US claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
EP-0003259-B1 N-FORMYLANILIDO AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PROCESS FOR THE PREPARATION OF THE CORRESPONDING N-PHENYL AROMATIC AMINO COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-03-24 EP disclosed
US-4292446-A N-FORMYLANILINO AROMATICS, DIPHENYLAMINE INTERMEDIATES, PESTICIDES, PREPARATION FROM FORMANILIDES AND HALOAROMATICS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-29 US disclosed
EP-0003259-A1 N-Formylanilido aromatic compounds, process for their preparation and process for the preparation of the corresponding N-phenyl aromatic amino compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-08 EP disclosed
US-4008278-A FROM AN AMINO-BENZOTRIFLUORIDE AND A HALOGEN SOURCE OLIN CORPORATION (US) 1977-02-15 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 (2 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 POLB 2749/4885ALDH1A1 1978/4885TDP1 905/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 POLB 4005/4885ALDH1A1 587/4885TDP1 3939/4885

“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.