SCHEMBL5328347

SCHEMBL5328347

C=CC(Nc1ccc(SC)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM1A O60341 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.36
GSK3B P49841 1/20 0.35
SLC6A4 P31645 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL5440741 0.82 TDP1 (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2C19
SCHEMBL14361137 0.81 HPGD (0.44) ALDH1A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL30518067 0.78 KMT2A (0.49) ALDH1A1MEN1KMT2ACYP2C19LMNA
SCHEMBL30518098 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL30518105 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL30518106 0.77 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL11228603 0.74 TDP1 (0.50) ALDH1A1MEN1KMT2ACYP3A4CYP1A2
Hydrochloric Acid SCHEMBL9359182 0.73 KDM4E (0.36) ALDH1A1MEN1KMT2ACYP3A4KDM4E
SCHEMBL29078168 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP3A4CYP1A2
SCHEMBL29078124 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ACYP3A4CYP1A2

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-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts YALE UNIVERSITY (US) 2007-11-08 US disclosed
EP-1745056-A4 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY CORP (US) 2007-10-31 EP disclosed
EP-1745056-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS Yale University Corporation (US) 2007-01-24 EP disclosed
WO-2005111050-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY (US) 2005-11-24 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-20070259774-A1 Enantioselective Phosphoramidite Compounds and Catalysts AKR1C3, PCNA, AKR1C4 ALDH1A1 1120/4885MEN1 1734/4885KMT2A 2948/4885

“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.