SCHEMBL653375

SCHEMBL653375

NC(=S)N(c1ccco1)c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 4/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 2/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
CCR6 P51684 1/20 0.32
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL1960674 0.79 ALOX5 (0.36) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL9547542 0.78 ALOX5 (0.47) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL9547589 0.73 CES2 (0.44) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL3360546 0.71 PTPN1 (0.43) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL15655965 0.68 ALOX5 (0.34) ALOX5CES2CES1TP53
SCHEMBL10525574 0.68 LMNA (0.35) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL1477408 0.68 TP53 (0.41) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL3085514 0.67
SCHEMBL9483989 0.67 ALOX5 (0.47) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL28275014 0.65 SMN1; SMN2 (0.41) ALDH1A1MAPTKMT2ATDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-7781442-B2 Compounds and uses thereof in modulating amyloid beta NEUROGENETIC PHARMACEUTICALS, INC. (US) 2010-08-24 US disclosed
US-4215043-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-07-29 US 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-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM ALDH1A1 2013/4885MAPT 7/4885KMT2A 2363/4885

“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.