SCHEMBL4336300

SCHEMBL4336300

CN1CCN(c2cc(N3CCN(c4cccc(Cl)c4)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPT P10636 7/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAOB P27338 1/20 0.41
ALOX12 P18054 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HCRTR1 O43613 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
MCL1 Q07820 2/20 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
SCHEMBL4336306 1.00 ALDH1A1 (0.52) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL4340564 0.90 MAOB (0.47) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL4340563 0.90 MAOB (0.47) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL4337053 0.90 ALDH1A1 (0.41) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL4337050 0.90 ALDH1A1 (0.41) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL4455943 0.90 ALDH1A1 (0.50) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL4455942 0.90 ALDH1A1 (0.50) ALDH1A1MAPTHTTKDM4EKMT2A
SCHEMBL4333263 0.90 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL4333258 0.90 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL4451251 0.89 ALDH1A1 (0.50) ALDH1A1MAPTHTTKDM4EKMT2A

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 ALDH1A1 1459/4885MAPT 3619/4885HTT 2994/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885HTT 3282/4885

“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.