SCHEMBL4455321

SCHEMBL4455321

Cc1cccc(N2CCN(c3cc(N4CC[C@@H](N(C)C)C4)c(/C=N/NC(N)=S)cc3F)CC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 7/20 0.39
ALOX12 P18054 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 2/20 0.37
GAA P10253 4/20 0.35
MYC P01106 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MPI P34949 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4455324 1.00 KDM4E (0.41) KDM4EALDH1A1MAPTALOX12TDP1
SCHEMBL4331454 0.93 MAOB (0.40) KDM4EALDH1A1MAPTALOX12TDP1
SCHEMBL4331451 0.93 MAOB (0.40) KDM4EALDH1A1MAPTALOX12TDP1
SCHEMBL13887109 0.91 MAPT (0.38) KDM4EALDH1A1MAPTALOX12TDP1
SCHEMBL4327443 0.90 MAOB (0.44) KDM4EALDH1A1MAPTMAOBGAA
SCHEMBL4327449 0.90 MAOB (0.44) KDM4EALDH1A1MAPTMAOBGAA
SCHEMBL4330708 0.88 MAOB (0.40) KDM4EALDH1A1MAPTALOX12MAOB
SCHEMBL4330711 0.88 MAOB (0.40) KDM4EALDH1A1MAPTALOX12MAOB
SCHEMBL4327294 0.88 MAOB (0.36) KDM4EALDH1A1MAPTALOX12MAOB
SCHEMBL4457797 0.88 ALDH1A1 (0.46) KDM4EALDH1A1MAPTALOX12TDP1

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-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

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 KDM4E 3010/4885ALDH1A1 1459/4885MAPT 3619/4885

“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.