SCHEMBL5522740

SCHEMBL5522740

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 3/20 0.67
TOP2A P11388 2/20 0.67
HSP90AA1 P07900 5/20 0.65
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
OPRK1 P41145 2/20 0.60
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
KMT2A Q03164 1/20 0.60
RELA Q04206 1/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PTBP1 P26599 1/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SLC2A1 P11166 2/20 0.58
CTH P32929 1/20 0.54

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
SCHEMBL5522739 1.00 HKDC1 (0.67) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL30816738 1.00 HKDC1 (0.67) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL8738064 0.86 CTH (0.55) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL29852200 0.86 CTH (0.55) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL941093 0.81 TOP2A (0.70) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL9319994 0.81 TOP2A (0.70) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL941092 0.81 TOP2A (0.70) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL27178963 0.81 TOP2A (0.70) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL7086491 0.81 AGTR1 (0.62) HKDC1TOP2AHSP90AA1KDM4EALDH1A1
SCHEMBL7086789 0.81 AGTR1 (0.62) HKDC1TOP2AHSP90AA1KDM4EALDH1A1

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
EP-0596037-B1 RADIOPHARMACEUTICAL PRODUCT HAVING IN PARTICULAR A CEREBRAL TROPISM COMPRISING A TRANSITION METAL NITRIDE COMPLEX, AND PREPARATION METHOD THEREFOR CIS BIO INT (FR) 2001-05-02 EP claimed
US-20070197495-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 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-20070197495-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE CYP51A1, TUBA3C, PIGO HKDC1 4650/4885TOP2A 1011/4885HSP90AA1 1801/4885

“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.