SCHEMBL4338702

SCHEMBL4338702

Cc1ccccc1-c1ccc(C=NN(Cc2ccccn2)C(N)=S)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 4/20 0.50
NPFFR2 Q9Y5X5 4/20 0.50
ALDH1A1 P00352 6/20 0.38
PPARG P37231 3/20 0.38
NCOA2 Q15596 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NCOA1 Q15788 2/20 0.38
SLC9A1 P19634 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
GFER P55789 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL4338712 0.87 MAPT (0.51) ALDH1A1SMN1; SMN2SLC9A1GAAMAPT
SCHEMBL4330988 0.85 NPFFR1 (0.53) NPFFR1NPFFR2ALDH1A1SLC9A1MAPT
SCHEMBL4324316 0.83 MAPT (0.38) ALDH1A1SLC9A1GAAMAPTLMNA
SCHEMBL4329325 0.83 SLC9A1 (0.36) NPFFR1NPFFR2ALDH1A1SMN1; SMN2SLC9A1
SCHEMBL4464604 0.83 TP53 (0.38) ALDH1A1SLC9A1GAAMAPTLMNA
SCHEMBL4331899 0.81 LMNA (0.37) ALDH1A1SMN1; SMN2SLC9A1MAPTLMNA
SCHEMBL4322273 0.80 MAPT (0.38) ALDH1A1SMN1; SMN2SLC9A1MAPTLMNA
SCHEMBL4451555 0.78 KDM4E (0.50) ALDH1A1SLC9A1GAAMAPTLMNA
SCHEMBL4338698 0.74 HKDC1 (0.58) NPFFR1NPFFR2ALDH1A1SMN1; SMN2GAA
SCHEMBL4338706 0.74 HKDC1 (0.58) NPFFR1NPFFR2ALDH1A1SMN1; SMN2GAA

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 NPFFR1 3442/4885NPFFR2 3944/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 NPFFR1 2997/4885NPFFR2 3590/4885ALDH1A1 1173/4885

“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.