SCHEMBL18477162

SCHEMBL18477162

S=C(N/N=C1/CCNc2cccnc21)N1CCN2CCCCC2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
HKDC1 Q2TB90 1/20 0.43
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
SYK P43405 1/20 0.34
CHRM1 P11229 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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 0.97 HSP90AA1 (0.41) HSP90AA1HKDC1LMNAKDM4EKMT2A
SCHEMBL18477158 0.88 HSP90AA1 (0.45) HSP90AA1HKDC1LMNAKDM4EKMT2A
SCHEMBL20414199 0.85 HSP90AA1 (0.36) HSP90AA1HKDC1LMNAKMT2AMEN1
SCHEMBL18479571 0.85 HSP90AA1 (0.35) HSP90AA1HKDC1LMNAKMT2AMEN1
SCHEMBL18477231 0.84 HSP90AA1 (0.40) HSP90AA1HKDC1LMNAKMT2AMEN1
SCHEMBL18476840 0.84 HSP90AA1 (0.38) HSP90AA1HKDC1LMNAKMT2AMEN1
SCHEMBL18476924 0.83 HSP90AA1 (0.44) HSP90AA1HKDC1LMNAKDM4EKMT2A
SCHEMBL18477875 0.83 HSP90AA1 (0.42) HSP90AA1HKDC1LMNAKDM4EKMT2A
SCHEMBL20414221 0.80 HSP90AA1 (0.44) HSP90AA1HKDC1KMT2ATP53CHRM1
SCHEMBL18477160 0.80 HSP90AA1 (0.34) HSP90AA1HKDC1

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.