SCHEMBL4335502

SCHEMBL4335502

OCCNC(=S)NN=Cc1ccc(-c2cccc(OC(F)(F)F)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 8/20 0.47
KDM4E B2RXH2 6/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.46
PHGDH O43175 5/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL4335497 1.00 ALDH1A1 (0.52) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4335479 0.85 KDM4E (0.64) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4335476 0.85 KDM4E (0.64) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4329651 0.84 MAPT (0.63) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4329645 0.84 MAPT (0.63) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4329245 0.78 PHGDH (0.50) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4329241 0.78 PHGDH (0.50) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4341235 0.77 KMT2A (0.68) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4341230 0.77 KMT2A (0.68) ALDH1A1LMNAHPGDALOX12MEN1
SCHEMBL4335498 0.75 PRMT1 (0.46) ALDH1A1LMNAHPGDALOX12MEN1

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 ALDH1A1 1459/4885LMNA 4884/4885HPGD 1646/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885LMNA 4885/4885HPGD 1495/4885

“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.