SCHEMBL3690937

SCHEMBL3690937

O=C(O)Cn1nc(C(F)(F)F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 3/20 0.42
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 3/20 0.38
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL13169955 0.85 LMNA (0.45) LMNAKDM4ETSHRPOLBTP53
SCHEMBL15875210 0.81 TP53 (0.48) LMNAKDM4ETSHRPOLBTP53
SCHEMBL21768425 0.81 KDM4E (0.54) LMNAKDM4ETSHRNPSR1POLB
SCHEMBL1120057 0.81 KDM4E (0.44) LMNAKDM4ETSHRNPSR1POLB
SCHEMBL30417 0.80 LMNA (0.63) LMNAKDM4ETSHRNPSR1POLB
SCHEMBL2586697 0.80 GRIN1 (0.46) LMNAKDM4ETSHRNPSR1POLB
SCHEMBL3689393 0.79 LMNA (0.46) LMNAKDM4ETSHRPOLBTP53
SCHEMBL14487846 0.78 KDM4E (0.44) LMNAKDM4ETSHRNPSR1POLB
SCHEMBL1878695 0.78 KDM4E (0.44) LMNAKDM4ETSHRNPSR1POLB
SCHEMBL2586705 0.78 LMNA (0.47) LMNAKDM4ETSHRNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 US disclosed
CN-106986866-B Fungicidal azacyclic amides 杜邦公司 2020-03-03 CN disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 US disclosed
EP-3239137-B1 (5R)-4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AS WELL AS 1-(2-CHLOROACETYL)-4-PIPERIDINE-CARBONITRILE AND -CARBOXAMIDE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF E.G. 4-[4-[(5R)-4,5-DIHYDRO-ISOXAZOL-3-YL]-THIAZOL-2-YL]-PIPERIDINE DERIVATIVES AS FUNGICIDES FOR CROP PROTECTION DU PONT (US) 2019-02-13 EP disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 US disclosed
CN-102816148-A Fungicidal azocyclic amides DU PONT 2012-12-12 CN disclosed
CN-101969781-A Fungicidal compounds and mixtures DU PONT 2011-02-09 CN disclosed
CN-101888843-A Fungicidal azacyclic amides DU PONT 2010-11-17 CN disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
US-20090156592-A1 Fungicidal Azocyclic Amides E.I. DU PONT DE NEMOURS AND COMPANY (DE) 2009-06-18 US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed
EP-2049111-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-22 EP disclosed
WO-2008013925-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 WO disclosed
WO-2008013622-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-01-31 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 (6 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN LMNA 3182/4885KDM4E 1590/4885TSHR 4824/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN LMNA 3182/4885KDM4E 1590/4885TSHR 4824/4885
US-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 LMNA 2648/4885KDM4E 2105/4885TSHR 2769/4885
US-20090156592-A1 Fungicidal Azocyclic Amides ARG1, NAT1, CHRM1 LMNA 3574/4885KDM4E 1248/4885TSHR 3187/4885
US-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN LMNA 3182/4885KDM4E 1590/4885TSHR 4824/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN LMNA 3182/4885KDM4E 1590/4885TSHR 4824/4885

“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.