SCHEMBL4330316

SCHEMBL4330316

CC(c1ccccc1)N1CCN(c2ccc(/C=N/NC(N)=S)cc2C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 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
SCHEMBL4330319 1.00 LMNA (0.42) LMNAALDH1A1HTTPOLBMAOB
SCHEMBL4336759 0.88 MAOB (0.45) LMNAHTTPOLBMAOBKDM4E
SCHEMBL4336763 0.88 MAOB (0.45) LMNAHTTPOLBMAOBKDM4E
SCHEMBL4331511 0.87 LMNA (0.45) LMNAHTTPOLBMAOBKDM4E
SCHEMBL4331506 0.87 LMNA (0.45) LMNAHTTPOLBMAOBKDM4E
SCHEMBL4334384 0.86 LMNA (0.44) LMNAHTTPOLBMAOBKDM4E
SCHEMBL4334386 0.86 LMNA (0.44) LMNAHTTPOLBMAOBKDM4E
SCHEMBL4335460 0.84 LMNA (0.42) LMNAHTTPOLBMAOBKDM4E
SCHEMBL4335464 0.84 LMNA (0.42) LMNAHTTPOLBMAOBKDM4E
SCHEMBL4330814 0.84 LMNA (0.45) LMNAALDH1A1HTTPOLBMAOB

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-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 1459/4885HTT 2994/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 LMNA 4885/4885ALDH1A1 1173/4885HTT 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.