SCHEMBL4333258

SCHEMBL4333258

Cc1cccc(N2CCN(c3cc(N4CCN(C)CC4)c(/C=N/NC(N)=S)cc3F)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAPT P10636 9/20 0.53
ALOX12 P18054 4/20 0.53
GAA P10253 4/20 0.53
MAOB P27338 2/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.39
MCL1 Q07820 2/20 0.39
POLB P06746 2/20 0.39
PHGDH O43175 1/20 0.39
ATM Q13315 1/20 0.38
ADRA2C P18825 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4333263 1.00 ALDH1A1 (0.53) ALDH1A1MAPTALOX12GAAMAOB
SCHEMBL4340564 0.91 MAOB (0.47) ALDH1A1MAPTALOX12GAAMAOB
SCHEMBL4340563 0.91 MAOB (0.47) ALDH1A1MAPTALOX12GAAMAOB
SCHEMBL13887165 0.90 MAOB (0.48) ALDH1A1MAPTALOX12GAAMAOB
SCHEMBL4336306 0.90 ALDH1A1 (0.52) ALDH1A1MAPTALOX12GAAMAOB
SCHEMBL4336300 0.90 ALDH1A1 (0.52) ALDH1A1MAPTALOX12GAAMAOB
SCHEMBL4324349 0.89 MAPT (0.50) ALDH1A1MAPTALOX12GAAMAOB
SCHEMBL4324352 0.89 MAPT (0.50) ALDH1A1MAPTALOX12GAAMAOB
SCHEMBL4334437 0.88 LMNA (0.46) ALDH1A1MAPTALOX12LMNANPSR1
SCHEMBL4334434 0.88 LMNA (0.46) ALDH1A1MAPTALOX12LMNANPSR1

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 1459/4885MAPT 3619/4885ALOX12 1149/4885

“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.