SCHEMBL4331128

SCHEMBL4331128

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccccc3)CC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
CASP3 P42574 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
DRD4 P21917 3/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
ALOX12 P18054 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
BACE1 P56817 2/20 0.45
HCRTR1 O43613 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4331135 1.00 DRD2 (0.48) DRD2DRD3CASP3L3MBTL1CA1
SCHEMBL4326407 0.96 DRD2 (0.45) DRD2DRD3CASP3L3MBTL1CA1
SCHEMBL4326403 0.96 DRD2 (0.45) DRD2DRD3CASP3L3MBTL1CA1
SCHEMBL4329336 0.93 ALDH1A1 (0.49) DRD2DRD3CASP3L3MBTL1DRD4
SCHEMBL4329338 0.93 ALDH1A1 (0.49) DRD2DRD3CASP3L3MBTL1DRD4
SCHEMBL4334867 0.90 MAPT (0.51) DRD2DRD3L3MBTL1DRD4ALDH1A1
SCHEMBL4325383 0.90 ALDH1A1 (0.50) L3MBTL1ALDH1A1LMNAALOX12MAPT
SCHEMBL4324243 0.90 MAPT (0.48) DRD2DRD3CASP3L3MBTL1CA1
SCHEMBL4329372 0.90 THRB (0.45) CASP3L3MBTL1CA1CA2CA7
SCHEMBL4325386 0.90 ALDH1A1 (0.50) L3MBTL1ALDH1A1LMNAALOX12MAPT

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 DRD2 3561/4885DRD3 3208/4885CASP3 1550/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 DRD2 3440/4885DRD3 3120/4885CASP3 2177/4885

“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.