SCHEMBL4338650

SCHEMBL4338650

NC(=S)N/N=C/c1ccc(N2CCN(CC3CCCCC3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
EML4 Q9HC35 1/20 0.40
ALK Q9UM73 1/20 0.40
XBP1 P17861 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
GALR3 O60755 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4338654 1.00 LMNA (0.42) LMNAALDH1A1EML4ALKXBP1
SCHEMBL4336598 0.88 MAOB (0.42) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4336594 0.88 MAOB (0.42) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4336809 0.87 KDM4E (0.41) LMNAKDM4EPOLBMAOBRAB9A
SCHEMBL4336804 0.87 KDM4E (0.41) LMNAKDM4EPOLBMAOBRAB9A
SCHEMBL4335809 0.86 KDM4E (0.40) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL4335803 0.86 KDM4E (0.40) LMNAALDH1A1KDM4EPOLBMAOB
SCHEMBL6442335 0.86 LMNA (0.45) LMNAALDH1A1ALKXBP1GALR3
SCHEMBL4463100 0.86 LMNA (0.45) LMNAALDH1A1ALKXBP1GALR3
SCHEMBL4333805 0.84 F2R (0.40) LMNAALDH1A1KDM4EPOLBMAOB

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 LMNA 4884/4885ALDH1A1 1459/4885EML4 4060/4885

“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.