SCHEMBL4332803

SCHEMBL4332803

S=C(NCC1CCCO1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 7/20 0.53
PHGDH O43175 3/20 0.53
ALDH1A1 P00352 5/20 0.52
ALOX12 P18054 2/20 0.52
HPGD P15428 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.48

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
SCHEMBL4332809 1.00 GAA (0.61) GAASMN1; SMN2KDM4EPHGDHALDH1A1
SCHEMBL4328249 0.90 ALDH1A1 (0.64) GAASMN1; SMN2KDM4EPHGDHALDH1A1
SCHEMBL4328243 0.90 ALDH1A1 (0.64) GAASMN1; SMN2KDM4EPHGDHALDH1A1
SCHEMBL4455893 0.89 KMT2A (0.59) GAASMN1; SMN2KDM4EPHGDHALDH1A1
SCHEMBL4455900 0.89 KMT2A (0.59) GAASMN1; SMN2KDM4EPHGDHALDH1A1
SCHEMBL4329484 0.89 GAA (0.57) GAASMN1; SMN2KDM4EPHGDHALDH1A1
SCHEMBL4329474 0.89 GAA (0.57) GAASMN1; SMN2KDM4EPHGDHALDH1A1
SCHEMBL21292670 0.80 PHGDH (0.80) SMN1; SMN2KDM4EPHGDHALDH1A1ALOX12
SCHEMBL4450070 0.79 PRMT5 (0.59) SMN1; SMN2KDM4EPHGDHALDH1A1ALOX12
SCHEMBL4450062 0.79 PRMT5 (0.59) SMN1; SMN2KDM4EPHGDHALDH1A1ALOX12

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 7 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
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 GAA 2113/4885SMN1; SMN2 4740/4885KDM4E 3010/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GAA 2263/4885SMN1; SMN2 4815/4885KDM4E 2338/4885

“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.