SCHEMBL6096446

SCHEMBL6096446

FC(F)(F)Oc1ccc(Cc2cccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
SLC6A4 P31645 1/20 0.47
LTA4H P09960 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNA5 P22460 2/20 0.39
MAPK8 P45983 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM1A O60341 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6076332 0.79 LTA4H (0.44) MEN1KMT2ALTA4HPOLBPTGS1
SCHEMBL2092054 0.78 SLC6A4 (0.56) SLC6A4ALDH1A1CYP11B1CYP11B2TSHR
SCHEMBL546118 0.77 L3MBTL1 (0.57) MEN1KMT2AATMLTA4HALDH1A1
SCHEMBL20738474 0.74 MEN1 (0.61) MEN1KMT2ALTA4HALDH1A1POLB
SCHEMBL3236567 0.74 HPGD (0.53) POLBPTGS1PTGS2L3MBTL1SMN1; SMN2
SCHEMBL16770891 0.74 SLC6A4 (0.58) SLC6A4LTA4HALDH1A1CYP11B1CYP11B2
SCHEMBL22621116 0.72 SLC6A4 (0.51) SLC6A4ALDH1A1CYP11B1CYP11B2TSHR
SCHEMBL28508353 0.72 L3MBTL1 (0.53) MEN1KMT2ALTA4HPTGS1PTGS2
SCHEMBL45228 0.72 LMNA (0.50) ALDH1A1TSHRPOLBPTGS1PTGS2
SCHEMBL10526948 0.71 LTA4H (0.52) MEN1KMT2ALTA4HALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763164-B Preparation method and application of ortho-carbonyl amino substituted benzene derivatives 中国医学科学院药物研究所 2023-03-10 CN disclosed
US-7002020-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY (US) 2006-02-21 US disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 US disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
US-6194416-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE ELI LILLY AND COMPANY 2001-02-27 US disclosed
US-6187776-B1 AZACYCLIC-SUBSTITUTED PYRIDINE DERIVATIVES; ALZHEIMER*S DISEASE, SCHIZOPHRENIA, GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS ELI LILLY AND COMPANY 2001-02-13 US disclosed
EP-0788489-A4 HETEROCYCLIC COMPOUNDS AND THEIR USE LILLY CO ELI (US) 2000-11-15 EP disclosed
US-6071900-A 2-AZABICYCLOOXYPYRIDAZINES TO TREAT DISEASES IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM; ALZHEIMER'S DISEASE; ANALGESICS; GI AND SLEEPING DISORDERS; GLAUCOMA, PSYCHOSIS, ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 2000-06-06 US disclosed
US-5998404-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5998434-A Composition for treating pain ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0874828-A4 COMPOSITION FOR TREATING PAIN LILLY CO ELI (US) 1999-09-01 EP disclosed
US-5888999-A USING AZACYCLIC AND AZABICYCLIC PYRAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-30 US disclosed
EP-0874828-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
EP-0788489-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE ELI LILLY AND COMPANY (US) 1997-08-13 EP disclosed
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO disclosed
WO-1997017955-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0773027-A1 Use of azacyclic or azabicyclic pyrazine compounds for treating anxiety ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996012711-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE ELI LILLY AND COMPANY (US) 1996-05-02 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-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP MEN1 2807/4885KMT2A 1573/4885ATM 3121/4885

“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.