SCHEMBL4332780

SCHEMBL4332780

NC(=S)NN=Cc1ccc(-c2ccc(N3CCN(CCc4ccccc4)CC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
RET P07949 1/20 0.42
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
BACE1 P56817 5/20 0.42
KDM4E B2RXH2 1/20 0.41
MAOA P21397 1/20 0.40
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4332775 1.00 DRD4 (0.48) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL4331292 0.91 DRD4 (0.46) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL4331295 0.91 DRD4 (0.46) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL4328501 0.91 AURKA (0.49) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL4328497 0.91 AURKA (0.49) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL4323752 0.84 MAOA (0.43) RETKDM4EMAOA
SCHEMBL4323750 0.84 MAOA (0.43) RETKDM4EMAOA
SCHEMBL4336145 0.83 RET (0.45) RETBCHEACHEBACE1KDM4E
SCHEMBL4344729 0.83 MAOB (0.47) DRD4DRD3HTR1AHTR2ASLC6A4
SCHEMBL4336141 0.83 RET (0.45) RETBCHEACHEBACE1KDM4E

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 DRD4 3597/4885DRD3 3208/4885HTR1A 4305/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 DRD4 3150/4885DRD3 3120/4885HTR1A 4360/4885

“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.