SCHEMBL3546726

SCHEMBL3546726

O=C(O)c1cnoc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 3/20 0.41
DHODH Q02127 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 2/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
AGTR1 P30556 1/20 0.39
CCKBR P32239 1/20 0.39
MC4R P32245 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
Hydrochloric Acid SCHEMBL10744969 0.98 ASPH (0.40) ASPHDHODHSMN1; SMN2CYP2C19CYP1A2
SCHEMBL9393635 0.86 DHODH (0.40) ASPHDHODHSMN1; SMN2CYP2C19CYP1A2
SCHEMBL3054292 0.82 DHODH (0.38) DHODHSMN1; SMN2CYP2C19CYP1A2NPC1
SCHEMBL16234890 0.80 TRPA1 (0.41) ASPHDHODHSMN1; SMN2CYP2C19CYP1A2
SCHEMBL3541912 0.74 KDM4E (0.49) DHODHSMN1; SMN2CYP2C19CYP1A2NPC1
SCHEMBL11435438 0.72 NPC1 (0.31) DHODHSMN1; SMN2CYP2C19CYP1A2NPC1
SCHEMBL8811276 0.71 RAB9A (0.58) DHODHSMN1; SMN2CYP2C19CYP1A2NPC1
SCHEMBL11429607 0.71 DHODH (0.73) DHODHSMN1; SMN2CYP2C19CYP1A2NPC1
SCHEMBL3541658 0.71 NPC1 (0.48) DHODHSMN1; SMN2CYP2C19CYP1A2NPC1
SCHEMBL8811957 0.70 LMNA (0.56) DHODHSMN1; SMN2CYP2C19CYP1A2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP claimed
CN-103814021-B Dihydroquinoline 2 ketone derivatives 霍夫曼-拉罗奇有限公司 2016-12-21 CN claimed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US claimed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP claimed
CN-103814021-A New dihydroquinoline-2-one derivatives HOFFMANN LA ROCHE 2014-05-21 CN claimed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 US claimed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO claimed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 WO claimed
EP-3653618-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
CN-103814021-B Dihydroquinoline 2 ketone derivatives 霍夫曼-拉罗奇有限公司 2016-12-21 CN disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US disclosed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 WO disclosed
EP-0012435-A2 Isoxazole derivatives, process for their preparation, medicines containing them and intermediates required in this process HOECHST AKTIENGESELLSCHAFT (DE) 1980-06-25 EP 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 ASPH 283/4885DHODH 369/4885SMN1; SMN2 3710/4885
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 ASPH 1733/4885DHODH 290/4885SMN1; SMN2 4486/4885

“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.