SCHEMBL4331401

SCHEMBL4331401

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.53
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
MAOA P21397 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CACNA1G O43497 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL4331399 1.00 TYR (0.53) TYRCA1CA2CA7CA9
SCHEMBL4334865 0.88 MAPT (0.51) TYRKDM4EHTTMAPTALDH1A1
SCHEMBL4334867 0.88 MAPT (0.51) TYRKDM4EHTTMAPTALDH1A1
SCHEMBL4334400 0.88 CA1 (0.53) CA1CA2CA7CA9MAOA
SCHEMBL4334397 0.88 CA1 (0.53) CA1CA2CA7CA9MAOA
SCHEMBL4329320 0.86 CA1 (0.53) TYRCA1CA2CA7CA9
SCHEMBL4329323 0.86 CA1 (0.53) TYRCA1CA2CA7CA9
SCHEMBL4341482 0.86 CA2 (0.63) CA1CA2CA7CA9MAOA
SCHEMBL4341474 0.86 CA2 (0.63) CA1CA2CA7CA9MAOA
SCHEMBL4337981 0.85 TYR (0.49) TYRMAOAKDM4EHTTMAPT

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 TYR 1808/4885CA1 4212/4885CA2 2391/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TYR 2113/4885CA1 4236/4885CA2 2331/4885

“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.