SCHEMBL4463100

SCHEMBL4463100

NC(=S)NN=Cc1ccc(N2CCN(C3CCCCC3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
XBP1 P17861 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GALR3 O60755 1/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
RAB9A P51151 1/20 0.39
HTT P42858 2/20 0.39
ALK Q9UM73 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6442335 1.00 LMNA (0.45) LMNAALDH1A1XBP1KDM4EGALR3
SCHEMBL4331354 0.87 MAOB (0.44) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4327465 0.87 MAOB (0.44) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4327470 0.87 MAOB (0.44) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4331348 0.87 MAOB (0.44) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4334826 0.86 KDM4E (0.44) LMNAKDM4EPOLBMAOBRAB9A
SCHEMBL4329819 0.86 MAOB (0.45) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4329814 0.86 MAOB (0.45) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4334821 0.86 KDM4E (0.44) LMNAKDM4EPOLBMAOBRAB9A
SCHEMBL4338654 0.86 LMNA (0.42) LMNAALDH1A1XBP1KDM4EGALR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 LMNA 4885/4885ALDH1A1 1173/4885XBP1 225/4885

“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.