SCHEMBL4331750

SCHEMBL4331750

S=C(NCC1CCCO1)N/N=C/c1cc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.59
KDM4E B2RXH2 5/20 0.56
HPGD P15428 5/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
UBE2N P61088 1/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL4331758 1.00 GAA (0.59) GAAKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4331752 0.74 ALDH1A1 (0.44) GAAKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL4328243 0.73 ALDH1A1 (0.64) GAAKDM4EHPGDALDH1A1MEN1
SCHEMBL4328249 0.73 ALDH1A1 (0.64) GAAKDM4EHPGDALDH1A1MEN1
SCHEMBL16160756 0.73 GAA (0.72) GAAKDM4EHPGDALDH1A1MEN1
SCHEMBL18500537 0.72 GAA (0.68) GAAKDM4EHPGDALDH1A1MEN1
SCHEMBL16160675 0.71 GAA (0.63) GAAKDM4EHPGDALDH1A1MEN1
SCHEMBL4324110 0.70 GRIN2D (0.57) GAAKDM4EPOLBLMNAMAPT
SCHEMBL4324114 0.70 GRIN2D (0.57) GAAKDM4EPOLBLMNAMAPT
SCHEMBL34468762 0.70 KDM4E (0.74) GAAKDM4EHPGDHSD17B10ALDH1A1

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 2113/4885KDM4E 3010/4885HPGD 1646/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 GAA 2263/4885KDM4E 2338/4885HPGD 1495/4885

“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.