SCHEMBL4330997

SCHEMBL4330997

CN1CCN(c2cc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2C=NNC(N)=S)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
XBP1 P17861 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
PHGDH O43175 6/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 4/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 2/20 0.41
ALOX12 P18054 1/20 0.41
DHFR P00374 1/20 0.41
USP2 O75604 1/20 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
SCHEMBL4330994 1.00 LMNA (0.45) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4334819 0.92 PHGDH (0.46) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4334823 0.92 PHGDH (0.46) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4334437 0.91 LMNA (0.46) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4334434 0.91 LMNA (0.46) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4324347 0.85 LMNA (0.42) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4324344 0.85 LMNA (0.42) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4453707 0.83 LMNA (0.48) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4453705 0.83 LMNA (0.48) LMNAALDH1A1MEN1POLBXBP1
SCHEMBL4331981 0.83 LMNA (0.48) LMNAALDH1A1MEN1POLBXBP1

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-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 LMNA 4884/4885ALDH1A1 1459/4885MEN1 4874/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 LMNA 4885/4885ALDH1A1 1173/4885MEN1 4872/4885

“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.