SCHEMBL18477166

SCHEMBL18477166

S=C(N/N=C1/CCNc2cccnc21)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
CTSL P07711 2/20 0.35
ABCC1 P33527 1/20 0.34
KDM4E B2RXH2 3/20 0.33
RIPK1 Q13546 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.31
HKDC1 Q2TB90 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
SCHEMBL18477155 0.89 ALDH1A1 (0.41) HSP90AA1CTSLKDM4ERIPK1MEN1
SCHEMBL18477152 0.89 HSP90AA1 (0.39) HSP90AA1CTSLKDM4EMEN1KMT2A
SCHEMBL18479516 0.88 KDM4E (0.47) KDM4EMEN1KMT2A
SCHEMBL18477160 0.87 HSP90AA1 (0.34) HSP90AA1CTSLHKDC1
SCHEMBL18477154 0.87 PTAFR (0.40) HSP90AA1HKDC1
SCHEMBL18477144 0.87 HSP90AA1 (0.38) HSP90AA1CTSLKDM4EMEN1KMT2A
SCHEMBL18477158 0.86 HSP90AA1 (0.45) HSP90AA1CTSLKDM4EMEN1KMT2A
SCHEMBL18477157 0.86 HSP90AA1 (0.37) HSP90AA1CTSLKDM4EMEN1KMT2A
SCHEMBL18477167 0.86 KMT2A (0.43) HSP90AA1CTSLMEN1KMT2APOLB
SCHEMBL18477165 0.86 LMNA (0.37) HSP90AA1CTSLKDM4EMEN1KMT2A

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 158/4885CTSL 2976/4885ABCC1 69/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST HSP90AA1 158/4885CTSL 2976/4885ABCC1 69/4885

“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.