SCHEMBL4329372

SCHEMBL4329372

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccncc3)CC2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
ALOX12 P18054 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 3/20 0.42
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RRM2 P31350 1/20 0.39
KHK P50053 1/20 0.38
GFER P55789 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL4329368 1.00 THRB (0.45) THRBALDH1A1MAPTALOX12HTT
SCHEMBL4331128 0.90 DRD2 (0.48) ALDH1A1MAPTALOX12HTTLMNA
SCHEMBL4331135 0.90 DRD2 (0.48) ALDH1A1MAPTALOX12HTTLMNA
SCHEMBL4329154 0.90 KDM4E (0.46) ALDH1A1MAPTALOX12HTTLMNA
SCHEMBL4329142 0.90 KDM4E (0.46) ALDH1A1MAPTALOX12HTTLMNA
SCHEMBL4337956 0.89 MAOB (0.43) THRBALDH1A1MAPTALOX12HTT
SCHEMBL4337948 0.89 MAOB (0.43) THRBALDH1A1MAPTALOX12HTT
SCHEMBL4324243 0.88 MAPT (0.48) ALDH1A1MAPTALOX12HTTLMNA
SCHEMBL4334867 0.88 MAPT (0.51) ALDH1A1MAPTALOX12HTTLMNA
SCHEMBL4334865 0.88 MAPT (0.51) ALDH1A1MAPTALOX12HTTLMNA

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 THRB 1492/4885ALDH1A1 1459/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 THRB 1866/4885ALDH1A1 1173/4885MAPT 3876/4885

“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.