SCHEMBL2514798

SCHEMBL2514798

O=C1C=CC(=Cc2cccs2)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
GSK3B P49841 1/20 0.47
NR1I2 O75469 1/20 0.46
MAPT P10636 7/20 0.45
MEN1 O00255 5/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 2/20 0.45
PIM1 P11309 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL2514796 1.00 KMT2A (0.51) KMT2AALDH1A1HPGDHTTGSK3B
SCHEMBL2514795 1.00 KMT2A (0.51) KMT2AALDH1A1HPGDHTTGSK3B
SCHEMBL2520389 0.79 DPP4 (0.54) KMT2AALDH1A1HPGDHTTMAPT
SCHEMBL2520390 0.79 DPP4 (0.54) KMT2AALDH1A1HPGDHTTMAPT
SCHEMBL2145506 0.71 PIM1 (0.44) KMT2AALDH1A1HPGDHTTMAPT
SCHEMBL2145508 0.71 PIM1 (0.44) KMT2AALDH1A1HPGDHTTMAPT
SCHEMBL2522094 0.70 ALDH1A1 (0.33) KMT2AALDH1A1HPGDMAPTCYP2C19
SCHEMBL2520199 0.69 KMT2A (0.45) KMT2AALDH1A1HPGDHTTMAPT
SCHEMBL17971664 0.68 KMT2A (1.00) KMT2AALDH1A1HPGDHTTGSK3B
SCHEMBL2519293 0.66 TUBB4A (0.39) KMT2AALDH1A1HPGDMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110250254-A1 ANTIMICROBIAL COMPOSITIONS AND USES UNIVERSITETET I OLSO (NO) 2011-10-13 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-20110250254-A1 ANTIMICROBIAL COMPOSITIONS AND USES CBR3, C5, C3AR1 KMT2A 4318/4885ALDH1A1 2529/4885HPGD 3605/4885

“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.