SCHEMBL2220960

SCHEMBL2220960

Cc1cc(C(F)(F)F)nn1CC(=O)Cl

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.63
KDM4E B2RXH2 2/20 0.59
TP53 P04637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 3/20 0.58
TSHR P16473 1/20 0.58
GAA P10253 4/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 1/20 0.53
CCR1 P32246 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL30417 0.87 LMNA (0.63) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL7797665 0.87 LMNA (0.63) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL12516787 0.85 LMNA (0.62) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL12883757 0.84 LMNA (0.64) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL22095910 0.84 LMNA (0.60) LMNAKDM4ETP53L3MBTL1POLB
Trifluoroacetic Acid SCHEMBL3580350 0.83 LMNA (0.59) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL21780716 0.83 KDM4E (0.74) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL29845259 0.83 TP53 (0.66) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL3681126 0.81 GRIN2A (0.44) LMNAKDM4ETP53L3MBTL1POLB
SCHEMBL22892531 0.80 LMNA (0.56) LMNAKDM4ETP53L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662280-B Piperidinyl tetrahydrobenzothiazole oxime ether derivative and application thereof 南开大学 2023-03-03 CN disclosed
CN-111689927-B Piperazinyl tetrahydrobenzothiazole oxime ether derivative and application thereof 南开大学 2022-07-12 CN disclosed
CN-111689927-A Piperazinyl tetrahydrobenzothiazole oxime ether derivative and application thereof 南开大学 2020-09-22 CN disclosed
CN-111662280-A Piperidinyl tetrahydrobenzothiazole oxime ether derivative and application thereof 南开大学 2020-09-15 CN disclosed
EP-2521450-B1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DU PONT (US) 2015-02-25 EP disclosed
EP-2121660-B1 FUNGICIDAL AMIDES DU PONT (US) 2014-12-31 EP disclosed
WO-2014179144-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-11-06 WO disclosed
US-8835427-B2 Fungicidal heterocyclic compounds E I DU PONT DE NEMOURS AND COMPANY (US) 2014-09-16 US disclosed
WO-2014075874-A1 MICROBIOCIDAL PYRAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2014-05-22 WO disclosed
US-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-06 US disclosed
EP-2521450-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E.I. Du Pont De Nemours And Company (US) 2012-11-14 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2011085170-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-07-14 WO disclosed
US-20100004288-A1 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-01-07 US disclosed
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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 (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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 LMNA 2084/4885KDM4E 1416/4885TP53 3715/4885
US-20120309752-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS CYP1B1, NOX3, CYP1A1 LMNA 3106/4885KDM4E 1409/4885TP53 4261/4885
US-20100004288-A1 FUNGICIDAL AMIDES NAT1, NOX1, Q6ZSR9 LMNA 3434/4885KDM4E 1591/4885TP53 3952/4885

“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.