SCHEMBL434024

SCHEMBL434024

Fc1c[c]ccc1-c1ccccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NOTUM Q6P988 2/20 0.34
IDO1 P14902 1/20 0.34
NPC1 O15118 3/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PTPRC P08575 1/20 0.33
PTPN1 P18031 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MPL P40238 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL2886283 0.88
SCHEMBL1205890 0.86 KDM4E (0.34) KDM4EALDH1A1NOTUMIDO1NPC1
SCHEMBL8131456 0.85 BCAT1 (0.36) CCNE2CCNE1CDK2
SCHEMBL2012045 0.84 ACHE (0.41) KDM4EALDH1A1NOTUMNPC1MEN1
SCHEMBL8129047 0.84 ACHE (0.41) ALDH1A1NPC1MAPTHPGDHSD17B10
SCHEMBL28313472 0.84 ALDH1A1 (0.50) KDM4EALDH1A1IDO1NPC1DCUN1D1
SCHEMBL7822011 0.84 CYP2A6 (0.39) ALDH1A1IDO1NPC1KMT2APTPRC
SCHEMBL434626 0.84 KCNN4 (0.36) KDM4EALDH1A1NOTUMIDO1NPC1
SCHEMBL9987691 0.84 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL2437987 0.81 PDE3B (0.36) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185953-A Method for preparing chiral hydroxylamine by catalytic hydrogenation of oxime with asymmetric nickel 上海交通大学 2023-12-08 CN claimed
US-9802921-B2 Fluoromethyl-substituted pyrrole carboxamides iv GRUENENTHAL GMBH (DE) 2017-10-31 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
EP-1218358-B1 THERAPEUTIC QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2006-09-13 EP claimed
US-20040102511-A1 Substituted pyrrole derivatives RANBAXY LABORATORIES LIMITED (IN) 2004-05-27 US claimed
US-5120347-A Pre and postemergence ROHM AND HAAS COMPANY (US) 1992-06-09 US claimed
CN-117185953-A Method for preparing chiral hydroxylamine by catalytic hydrogenation of oxime with asymmetric nickel 上海交通大学 2023-12-08 CN disclosed
US-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 UNIV TEXAS (US) 2023-05-18 US disclosed
CN-114394913-B Synthetic method of oxime ether derivative 山东农业大学 2023-02-03 CN disclosed
EP-4121411-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-01-25 EP disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 CN disclosed
WO-2021188728-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-23 WO disclosed
CN-105814022-A Fused bicyclic heteroaromatic derivatives as modulators of tnf activity UCB生物制药私人有限公司 2016-07-27 CN disclosed
US-20040102511-A1 Substituted pyrrole derivatives RANBAXY LABORATORIES LIMITED (IN) 2004-05-27 US disclosed
EP-1028945-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS Amgen Inc. (US) 2000-08-23 EP disclosed
WO-1999024404-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 1999-05-20 WO disclosed
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 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 (3 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-20230150929-A1 SELECTIVE NON-CYCLIC NUCLEOTIDE ACTIVATORS FOR THE CAMP SENSOR EPAC1 CREB1, RAPGEF4, ATF4 KDM4E 3900/4885ALDH1A1 3629/4885NOTUM 3292/4885
US-20040102511-A1 Substituted pyrrole derivatives HMGCR, PC, CYP46A1 KDM4E 851/4885ALDH1A1 991/4885NOTUM 307/4885
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 KDM4E 1970/4885ALDH1A1 3830/4885NOTUM 4023/4885

“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.