SCHEMBL4339996

SCHEMBL4339996

Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(N(C)C)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.78
MAPT P10636 12/20 0.78
ALOX12 P18054 6/20 0.78
LMNA P02545 6/20 0.78
KDM4E B2RXH2 7/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
GAA P10253 3/20 0.74
KMT2A Q03164 2/20 0.74
MAPK1 P28482 2/20 0.68
HPGD P15428 1/20 0.68
HTT P42858 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
TDP1 Q9NUW8 3/20 0.62
POLB P06746 4/20 0.58
MAOA P21397 1/20 0.56
MYC P01106 1/20 0.55
RAB9A P51151 3/20 0.54
NPC1 O15118 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
GFER P55789 1/20 0.53

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
SCHEMBL4339999 1.00 ALDH1A1 (0.78) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4334911 0.88 ALDH1A1 (1.00) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4334914 0.88 ALDH1A1 (1.00) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4334391 0.85 ALDH1A1 (1.00) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4329373 0.85 MAPT (0.81) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4329376 0.85 MAPT (0.81) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4334387 0.85 ALDH1A1 (1.00) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4344717 0.78 ALDH1A1 (1.00) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4344714 0.78 ALDH1A1 (1.00) ALDH1A1MAPTALOX12LMNAKDM4E
SCHEMBL4322231 0.73 ALDH1A1 (0.72) ALDH1A1MAPTALOX12LMNAKDM4E

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 ALDH1A1 1459/4885MAPT 3619/4885ALOX12 1149/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885ALOX12 952/4885

“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.