SCHEMBL4323213

SCHEMBL4323213

Cc1ccc(C)c(N2CCN(c3cc(N4CCN(C)CC4)c(C=NNC(N)=S)cc3F)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
GAA P10253 3/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 7/20 0.42
LMNA P02545 4/20 0.42
ALOX12 P18054 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4323209 1.00 MAPT (0.43) MAPTGAAKMT2AHTTKDM4E
SCHEMBL4324352 0.89 MAPT (0.50) MAPTGAAKMT2AHTTKDM4E
SCHEMBL4332872 0.89 MAOB (0.47) MAPTGAAKMT2AKDM4EALDH1A1
SCHEMBL4324349 0.89 MAPT (0.50) MAPTGAAKMT2AHTTKDM4E
SCHEMBL4332877 0.89 MAOB (0.47) MAPTGAAKMT2AKDM4EALDH1A1
SCHEMBL4327771 0.87 MAPT (0.41) MAPTGAAKMT2AHTTKDM4E
SCHEMBL4327767 0.87 MAPT (0.41) MAPTGAAKMT2AHTTKDM4E
SCHEMBL4333258 0.86 ALDH1A1 (0.53) MAPTGAAKMT2AKDM4EALDH1A1
SCHEMBL4333263 0.86 ALDH1A1 (0.53) MAPTGAAKMT2AKDM4EALDH1A1
SCHEMBL4331017 0.85 ALDH1A1 (0.45) MAPTGAAKMT2AKDM4EALDH1A1

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 MAPT 3619/4885GAA 2113/4885KMT2A 3988/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885GAA 2263/4885KMT2A 3714/4885

“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.