SCHEMBL5378159

SCHEMBL5378159

FC(F)C(F)Oc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 3/20 0.35
TP53 P04637 2/20 0.35
ALOX15 P16050 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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 SCHEMBL5573941 0.98 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31143546 0.83 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30025575 0.83 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14357960 0.83 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
Acetic Acid SCHEMBL28009762 0.76 PDE4A (0.48) KDM4ELMNACYP1A2HIF1AP4HTM
SCHEMBL3645535 0.74 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29388428 0.74 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL826368 0.74 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1426644 0.73 KDM4E (0.40) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10337588 0.73 LMNA (0.41) KDM4ELMNACCR1CCR5CCR8

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117223143-A Nonaqueous electrolyte and nonaqueous secondary battery 旭化成株式会社 2023-12-12 CN disclosed
CN-116056697-A 2-oxo-oxazolidine-5-carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2023-05-02 CN disclosed
WO-2020038433-A1 EGFR KINASE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海艾力斯医药科技有限公司 2020-02-27 WO disclosed
CN-110642838-A EGFR inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2020-01-03 CN disclosed
WO-2019238103-A1 PREPARATION METHOD FOR PYRIDINYLAMINOPYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF 上海艾力斯医药科技有限公司 2019-12-19 WO disclosed
CN-104520296-A Pyrrolopyridinone derivatives as TTX-S blockers RAQUALIA PHARMA INC 2015-04-15 CN disclosed
CN-100404529-C 2, 4-bis (trifluoroethoxy) pyridine compound and medicine containing the same KOWA CO (JP) 2008-07-23 CN disclosed
EP-1838314-A1 PROCESS FOR PREPARING LANSOPRAZOLE KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2007-10-03 EP disclosed
US-7223764-B2 2,4-bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2007-05-29 US disclosed
CN-1816542-A 2, 4-bis (trifluoroethoxy) pyridine compound and medicine containing the same KOWA CO (JP) 2006-08-09 CN disclosed
WO-2006074952-A1 PROCESS FOR PREPARING LANSOPRAZOLE KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2006-07-20 WO disclosed
US-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound KOWA CO., LTD. (JP) 2005-01-27 US disclosed
EP-0944617-A1 CRYSTALS OF BENZIMIDAZOLE DERIVATIVES AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-09-29 EP disclosed
WO-1998021201-A1 CRYSTALS OF BENZIMIDAZOLE DERIVATIVES AND THEIR PRODUCTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-22 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 (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-20050020606-A1 2,4-Bis (trifluoroethoxy)pyridine compound and drug containing the compound ACAT2, ACAT1, CYP7A1 KDM4E 1096/4885LMNA 4487/4885CCR1 3519/4885

“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.