SCHEMBL18477265

SCHEMBL18477265

NC(=S)N/N=C1/CCNc2cccnc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.53
RRM2 P31350 2/20 0.38
RRM1 P23921 1/20 0.38
RRM2B Q7LG56 1/20 0.38
CISD1 Q9NZ45 1/20 0.38
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18477726 0.92 CTSL (0.45) CTSLRRM2RRM1RRM2BCISD1
SCHEMBL18479608 0.86 CTSL (0.40) CTSLRRM2RRM1RRM2BCISD1
SCHEMBL18477861 0.83 CTSL (0.37) CTSL
SCHEMBL20414239 0.82 MAPT (0.40) CTSLMEN1GAAKMT2AALDH1A1
SCHEMBL18476984 0.82 NPC1 (0.36) CTSLMEN1GAAKMT2AALDH1A1
SCHEMBL18477885 0.81 ALDH1A1 (0.41) MEN1GAAKMT2AALDH1A1L3MBTL1
SCHEMBL18477166 0.80 HSP90AA1 (0.38) CTSLMEN1KMT2AKDM4E
SCHEMBL18477864 0.80 GAA (0.37) CTSLGAAALDH1A1L3MBTL1LMNA
SCHEMBL20414240 0.80 ALDH1A1 (0.40) CTSLGAAALDH1A1L3MBTL1LMNA
SCHEMBL18477882 0.80 ALDH1A1 (0.44) MEN1GAAKMT2AALDH1A1LMNA

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 CTSL 2976/4885RRM2 1270/4885RRM1 1462/4885
US-20180208603-A1 HETEROCYCLIC THIOSEMICARBAZONE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS TPMT, MKI67, TST CTSL 2976/4885RRM2 1270/4885RRM1 1462/4885

“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.