SCHEMBL4340658

SCHEMBL4340658

Cc1cc(C)cc(-c2ccc(/C=N/NC(=S)NCc3cccnc3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 4/20 0.55
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
ALOX12 P18054 1/20 0.52
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LDHA P00338 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4340666 1.00 PHGDH (0.55) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4331912 0.93 PHGDH (0.53) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4331905 0.93 PHGDH (0.53) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4326238 0.88 PHGDH (0.67) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4326245 0.88 PHGDH (0.67) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4329121 0.85 PHGDH (0.61) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4329114 0.85 PHGDH (0.61) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4329425 0.85 PHGDH (0.53) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4329432 0.85 PHGDH (0.53) PHGDHMAPTALDH1A1LMNAHPGD
SCHEMBL4333824 0.85 ALDH1A1 (0.58) PHGDHMAPTALDH1A1LMNAHPGD

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 2500/4885MAPT 3619/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PHGDH 2768/4885MAPT 3876/4885ALDH1A1 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.