SCHEMBL4337050

SCHEMBL4337050

CN1CCN(c2cc(N3CCN(c4cc(Cl)cc(Cl)c4)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
MAPT P10636 8/20 0.41
ALOX12 P18054 4/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MCL1 Q07820 2/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.39
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.35

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
SCHEMBL4337053 1.00 ALDH1A1 (0.41) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4451251 0.91 ALDH1A1 (0.50) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4451250 0.91 ALDH1A1 (0.50) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4336300 0.90 ALDH1A1 (0.52) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4336306 0.90 ALDH1A1 (0.52) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4329892 0.87 MAPT (0.52) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4329890 0.87 MAPT (0.52) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL13887165 0.87 MAOB (0.48) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4336499 0.86 MAOB (0.47) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4324349 0.86 MAPT (0.50) ALDH1A1MAPTALOX12GAASMN1; SMN2

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 6 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

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.