SCHEMBL464694

SCHEMBL464694

CCNC(=S)N(NC(=O)CS(=O)(=O)NN(C(=S)NCC)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 4/20 0.38
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTGES O14684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GAA P10253 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL5674851 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EHTTMAPTALOX12
SCHEMBL446777 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHTTMAPTALOX12
SCHEMBL464696 0.70 HSP90AA1 (0.30) HSP90AA1HSP90AB1
SCHEMBL27692326 0.68 ALDH1A1 (0.42) ALDH1A1KDM4EHTTLMNASMN1; SMN2
SCHEMBL464655 0.66 HSP90AA1 (0.68) ALDH1A1KDM4EHTTMAPTALOX12
SCHEMBL10231455 0.66 HSP90AA1 (0.46) ALDH1A1HTTMAPTLMNASMN1; SMN2
SCHEMBL10049995 0.66 HSP90AA1 (0.51) ALDH1A1KDM4EHTTMAPTALOX12
SCHEMBL11171603 0.64 ALDH1A1 (0.47) ALDH1A1KDM4EHTTMAPTALOX12
SCHEMBL7987611 0.64 L3MBTL1 (0.73) ALDH1A1KDM4EHTTMAPTALOX12
SCHEMBL5433768 0.64 ALDH1A1 (0.54) ALDH1A1KDM4EHTTMAPTALOX12

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-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 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-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA ALDH1A1 1351/4885KDM4E 3417/4885HTT 1090/4885

“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.