SCHEMBL7720682

SCHEMBL7720682

O=C(OCc1ccccc1)c1cc(O)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
AKR1B1 P15121 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
ALOX5 P09917 1/20 0.43
DHODH Q02127 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43

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
SCHEMBL1733527 0.84 SMN1; SMN2 (0.54) TDP1MAPTLMNAKMT2AALDH1A1
SCHEMBL30002312 0.84 SMN1; SMN2 (0.54) TDP1MAPTLMNAKMT2AALDH1A1
SCHEMBL2906705 0.83 MAPT (0.49) TDP1MAPTKMT2ASLC6A2SLC6A3
SCHEMBL8562941 0.80 MAPT (0.57) TDP1MAPTLMNAKMT2ASLC6A2
SCHEMBL561686 0.79 KDM4E (0.54) MAPTLMNAKMT2AALDH1A1KDM4E
SCHEMBL31389316 0.79 KDM4E (0.54) MAPTLMNAKMT2AALDH1A1KDM4E
SCHEMBL8403275 0.78 MAPT (0.79) TDP1MAPTKMT2ASLC6A2SLC6A3
SCHEMBL18118665 0.77 KMT2A (0.56) TDP1MAPTLMNAKMT2ASLC6A2
SCHEMBL6616258 0.77 KMT2A (0.60) TDP1MAPTLMNAKMT2ASLC6A2
Transtorine SCHEMBL22979 0.76 ALOX15 (0.60) TDP1MAPTLMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020077491-A1 Methods for forming combinatorial libraries combining amide bond formation with epoxide opening NEOGENESIS PHARMACEUTICALS, INC. 2002-06-20 US disclosed
WO-2002020436-A2 METHODS FOR FORMING COMBINATORIAL LIBRARIES COMBINING AMIDE BOND FORMATION WITH EPOXIDE OPENING NEOGENESIS PHARMACEUTICALS, INC. (US) 2002-03-14 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 (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-20020077491-A1 Methods for forming combinatorial libraries combining amide bond formation with epoxide opening EPHX2, COASY, EPHX1 TDP1 3552/4885MAPT 3620/4885LMNA 4655/4885

“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.