SCHEMBL4331926

SCHEMBL4331926

NC(=S)NN=Cc1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
ALOX12 P18054 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HCRTR1 O43613 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4331921 1.00 PKM (0.46) PKMPOLBSIGMAR1ALOX12NPSR1
SCHEMBL4335097 0.91 PKM (0.48) PKMPOLBSIGMAR1ALOX12NPSR1
SCHEMBL4324463 0.91 ALDH1A1 (0.46) PKMPOLBSIGMAR1ALOX12NPSR1
SCHEMBL4324466 0.91 ALDH1A1 (0.46) PKMPOLBSIGMAR1ALOX12NPSR1
SCHEMBL4335100 0.91 PKM (0.48) PKMPOLBSIGMAR1ALOX12NPSR1
SCHEMBL4338092 0.90 PKM (0.43) PKMPOLBSIGMAR1ALOX12NPSR1
SCHEMBL4338100 0.90 PKM (0.43) PKMPOLBSIGMAR1ALOX12NPSR1
SCHEMBL4329594 0.89 ACHE (0.47) PKMPOLBALDH1A1ACHELMNA
SCHEMBL4329593 0.89 ACHE (0.47) PKMPOLBALDH1A1ACHELMNA
SCHEMBL4338895 0.89 PKM (0.44) PKMPOLBSIGMAR1ALOX12NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 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 (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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PKM 4105/4885POLB 3179/4885SIGMAR1 948/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PKM 4038/4885POLB 3934/4885SIGMAR1 776/4885

“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.