SCHEMBL4328152

SCHEMBL4328152

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
PKM P14618 1/20 0.41
RRM2 P31350 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.39
IP6K1 Q92551 1/20 0.39
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4328156 1.00 CYP2A13 (0.42) CYP2A13SIGMAR1PKMRRM2KDM4E
SCHEMBL4329438 0.89 MAPT (0.46) RRM2KDM4EMAPTALDH1A1MEN1
SCHEMBL4329441 0.89 MAPT (0.46) RRM2KDM4EMAPTALDH1A1MEN1
SCHEMBL4329165 0.89 KDM4E (0.42) CYP2A13SIGMAR1PKMKDM4EMAPT
SCHEMBL4329162 0.89 KDM4E (0.42) CYP2A13SIGMAR1PKMKDM4EMAPT
SCHEMBL4325211 0.88 PKM (0.52) PKMKDM4EMAPTALDH1A1MEN1
SCHEMBL4325216 0.88 PKM (0.52) PKMKDM4EMAPTALDH1A1MEN1
SCHEMBL4331008 0.85 PKM (0.48) SIGMAR1PKMKDM4EMAPTALDH1A1
SCHEMBL4331009 0.85 PKM (0.48) SIGMAR1PKMKDM4EMAPTALDH1A1
SCHEMBL4334389 0.84 MAPT (0.45) CYP2A13SIGMAR1PKMRRM2KDM4E

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 6 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
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-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 CYP2A13 2877/4885SIGMAR1 948/4885PKM 4105/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 CYP2A13 3147/4885SIGMAR1 776/4885PKM 4038/4885

“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.