SCHEMBL4333781

SCHEMBL4333781

Fc1ccc(F)c(-c2ccc(/C=N/NC(=S)NCc3cccnc3)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.48
GAA P10253 4/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 9/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.41
APAF1 O14727 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LDHA P00338 1/20 0.41
PLEC Q15149 1/20 0.41

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
SCHEMBL4333789 1.00 PHGDH (0.48) PHGDHGAAKMT2APOLBALDH1A1
SCHEMBL4344685 0.84 MAPT (0.55) PHGDHGAAKMT2APOLBALDH1A1
SCHEMBL4336318 0.84 ALDH1A1 (0.65) PHGDHGAAKMT2APOLBALDH1A1
SCHEMBL4336309 0.84 ALDH1A1 (0.65) PHGDHGAAKMT2APOLBALDH1A1
SCHEMBL4344679 0.84 MAPT (0.55) PHGDHGAAKMT2APOLBALDH1A1
SCHEMBL4329330 0.83 HKDC1 (0.54) PHGDHKMT2AALDH1A1MAPTLMNA
SCHEMBL4329322 0.83 HKDC1 (0.54) PHGDHKMT2AALDH1A1MAPTLMNA
SCHEMBL4338183 0.82 PHGDH (0.51) PHGDHGAAKMT2APOLBALDH1A1
SCHEMBL4338178 0.82 PHGDH (0.51) PHGDHGAAKMT2APOLBALDH1A1
SCHEMBL4323308 0.82 PHGDH (0.52) PHGDHGAAKMT2APOLBALDH1A1

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 7 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-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 PHGDH 2500/4885GAA 2113/4885KMT2A 3988/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PHGDH 2768/4885GAA 2263/4885KMT2A 3714/4885

“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.