SCHEMBL7086790

SCHEMBL7086790

CSC(=S)NN=C(c1ccccc1)c1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.62
HKDC1 Q2TB90 2/20 0.57
LMNA P02545 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
OPRK1 P41145 2/20 0.56
GAA P10253 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HTT P42858 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
RAB9A P51151 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 2/20 0.54
NCOA3 Q9Y6Q9 2/20 0.53
NPC1 O15118 1/20 0.53
NCOA1 Q15788 1/20 0.53

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
SCHEMBL7086491 1.00 AGTR1 (0.62) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL7086789 1.00 AGTR1 (0.62) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL8738064 0.91 CTH (0.55) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL29852200 0.91 CTH (0.55) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL31690656 0.84 AGTR1 (0.70) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL13522803 0.82 TOP2A (0.68) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL29896251 0.82 TOP2A (0.68) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL29896301 0.82 TOP2A (0.68) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL5522740 0.81 HKDC1 (0.67) AGTR1HKDC1LMNAMEN1KMT2A
SCHEMBL13522802 0.81 AGTR1 (0.67) AGTR1HKDC1LMNAMEN1KMT2A

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-20030166692-A1 Composition useful as anticancer drug and radiosensitizer PHARMGENIA CO., LTD. OF DEVELOPMENTAL GENETICS LABORATORY, 2003-09-04 US disclosed
US-20030166692-A1 Composition useful as anticancer drug and radiosensitizer PHARMGENIA CO., LTD. OF DEVELOPMENTAL GENETICS LABORATORY, 2003-09-04 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-20030166692-A1 Composition useful as anticancer drug and radiosensitizer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HDAC5, HCCS AGTR1 4549/4885HKDC1 94/4885LMNA 4062/4885

“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.