SCHEMBL4325213

SCHEMBL4325213

N#Cc1cc(/C=N/NC(N)=S)ccc1N1CCN(CC2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4333805 1.00 F2R (0.40) F2RKDM4EPOLBRAB9AHTT
SCHEMBL4336804 0.87 KDM4E (0.41) KDM4EPOLBRAB9AHTTLMNA
SCHEMBL4336809 0.87 KDM4E (0.41) KDM4EPOLBRAB9AHTTLMNA
SCHEMBL4335803 0.87 KDM4E (0.40) KDM4EPOLBRAB9AHTTLMNA
SCHEMBL4336598 0.87 MAOB (0.42) KDM4EPOLBRAB9AHTTLMNA
SCHEMBL4336594 0.87 MAOB (0.42) KDM4EPOLBRAB9AHTTLMNA
SCHEMBL4335809 0.87 KDM4E (0.40) KDM4EPOLBRAB9AHTTLMNA
SCHEMBL4451581 0.85 KDM4E (0.41) KDM4EPOLBRAB9AHTTLMNA
SCHEMBL4451587 0.85 KDM4E (0.41) KDM4EPOLBRAB9AHTTLMNA
SCHEMBL4338654 0.84 LMNA (0.42) KDM4EPOLBRAB9AHTTLMNA

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 F2R 2905/4885KDM4E 3010/4885POLB 3179/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 F2R 2255/4885KDM4E 2338/4885POLB 3934/4885

“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.