SCHEMBL18477158

SCHEMBL18477158

S=C(N/N=C1/CCNc2cccnc21)N1CCN(C2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.45
HKDC1 Q2TB90 1/20 0.45
LMNA P02545 2/20 0.37
KDM4E B2RXH2 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HTT P42858 1/20 0.33
CTSL P07711 1/20 0.32
HRH1 P35367 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PHGDH O43175 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL18477161 0.89 HSP90AA1 (0.41) HSP90AA1HKDC1LMNAKDM4EKMT2A
SCHEMBL18477162 0.88 HSP90AA1 (0.43) HSP90AA1HKDC1LMNAKDM4EKMT2A
SCHEMBL18477152 0.86 HSP90AA1 (0.39) HSP90AA1HKDC1LMNAKDM4EKMT2A
SCHEMBL18477166 0.86 HSP90AA1 (0.38) HSP90AA1HKDC1KDM4EKMT2AMEN1
SCHEMBL18479516 0.85 KDM4E (0.47) LMNAKDM4EKMT2AMEN1HTT
SCHEMBL18477144 0.84 HSP90AA1 (0.38) HSP90AA1HKDC1LMNAKDM4EKMT2A
SCHEMBL18477154 0.84 PTAFR (0.40) HSP90AA1HKDC1HRH1
SCHEMBL18477155 0.84 ALDH1A1 (0.41) HSP90AA1KDM4EKMT2AMEN1CTSL
SCHEMBL18477165 0.83 LMNA (0.37) HSP90AA1LMNAKDM4EKMT2AMEN1
SCHEMBL18477157 0.83 HSP90AA1 (0.37) HSP90AA1HKDC1LMNAKDM4EKMT2A

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-10392397-B2 Heterocyclic thiosemicarbazone derivatives and their therapeutical applications NANTBIO, INC. (US) 2019-08-27 US disclosed
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC 2018-07-26 US disclosed
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC 2018-07-26 US disclosed
WO-2017024315-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS NANT HOLDINGS IP, LLC (US) 2017-02-09 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 (2 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-10392397-B2 Heterocyclic thiosemicarbazone derivatives and their therapeutical applications TPMT, MKI67, TST HSP90AA1 158/4885HKDC1 321/4885LMNA 4312/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST HSP90AA1 158/4885HKDC1 321/4885LMNA 4312/4885

“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.