SCHEMBL6514596

SCHEMBL6514596

[CH2]c1cccnc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
MEN1 O00255 1/20 0.64
GMNN O75496 1/20 0.64
ALDH1A1 P00352 1/20 0.64
TTR P02766 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
PKM P14618 1/20 0.64
NFKB1 P19838 1/20 0.64
UGT1A1 P22309 1/20 0.64
PTGS1 P23219 1/20 0.64
PTGS2 P35354 1/20 0.64
PMP22 Q01453 1/20 0.64
DHODH Q02127 1/20 0.64
KMT2A Q03164 1/20 0.64
TEAD4 Q15561 1/20 0.64
HIF1A Q16665 1/20 0.64
GPR35 Q9HC97 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL30754777 0.84 LMNA (0.65) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL10215930 0.82 LMNA (0.64) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL21497137 0.82 LMNA (0.67) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL13653032 0.82 LMNA (0.66) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL6799074 0.82 LMNA (0.66) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL2739344 0.80 LMNA (0.64) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL8690092 0.79 LMNA (0.63) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL6216036 0.79 LMNA (0.63) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL6216033 0.79 LMNA (0.63) LMNAMEN1GMNNALDH1A1TTR
SCHEMBL13653031 0.79 LMNA (0.63) LMNAMEN1GMNNALDH1A1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US claimed
US-5602230-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS CENTOCOR, INC. (US) 1997-02-11 US claimed
US-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof NEFZI ADEL (US) 2005-05-26 US disclosed
US-6809202-B2 SYNTHETIC PEPTIDES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2004-10-26 US disclosed
US-20030120066-A1 Synthetic peptides NEFZI ADEL (US) 2003-06-26 US disclosed
US-6441172-B1 DI- AND TRI-SUBSTITUTED-1,4-DIAZACYCLIC COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2002-08-27 US disclosed
US-5786448-A FOR SCREENING, SYNTHESIZING PEPTIDE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-07-28 US disclosed
WO-1998019693-A1 COMBINATORIAL LIBRARIES OF CYCLIC UREA AND CYCLIC THIOUREA DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-05-14 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 (2 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-20050112693-A1 Diketodiazacyclic compounds, diazacyclic compounds and combinatorial libraries thereof DHPS, DCK, DAZAP1 LMNA 3804/4885MEN1 1511/4885GMNN 970/4885
US-20030120066-A1 Synthetic peptides VIP, NGLY1, GRPR LMNA 4501/4885MEN1 78/4885GMNN 534/4885

“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.