SCHEMBL4331752

SCHEMBL4331752

NC(=S)N(CC1CCCO1)N=Cc1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
KDM4E B2RXH2 6/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GLA P06280 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37

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 0.74 GAA (0.59) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4331750 0.74 GAA (0.59) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL4328246 0.73 LMNA (0.46) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL4464775 0.71 GRIN2D (0.55) KDM4ENPSR1GRIN2DGRIN3BGRIN1
SCHEMBL4464774 0.71 GRIN2D (0.55) KDM4ENPSR1GRIN2DGRIN3BGRIN1
SCHEMBL4329481 0.69 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL4455897 0.67 KMT2A (0.50) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL4332806 0.67 POLB (0.44) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL9670042 0.64 GRIN2D (0.46) KDM4EHPGDHSD17B10NPSR1KMT2A
SCHEMBL9670041 0.64 GRIN2D (0.46) KDM4EHPGDHSD17B10NPSR1KMT2A

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 ALDH1A1 1459/4885KDM4E 3010/4885HPGD 1646/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885KDM4E 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.