SCHEMBL4337962

SCHEMBL4337962

S=C(NCc1ccco1)NN=CC1CCCCN1Cc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 6/20 0.48
ALOX12 P18054 2/20 0.48
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL4337953 1.00 LMNA (0.52) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4329146 0.88 MAPT (0.56) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4329155 0.88 MAPT (0.56) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4332941 0.85 MAPT (0.57) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4332935 0.85 MAPT (0.57) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4329479 0.83 MAPT (0.43) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4329486 0.83 MAPT (0.43) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4332172 0.81 HTT (0.42) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4332164 0.81 HTT (0.42) LMNAMAPTALOX12GAACYP1A2
SCHEMBL4326191 0.80 GAA (0.48) LMNAALOX12GAAMEN1KMT2A

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 4884/4885MAPT 3619/4885ALOX12 1149/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 LMNA 4885/4885MAPT 3876/4885ALOX12 952/4885

“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.