SCHEMBL4331350

SCHEMBL4331350

COCCCN(N=CC1CCCCN1Cc1ccc(Cl)cc1)C(N)=S

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.32
CHEK2 O96017 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
MAPK1 P28482 1/20 0.32
MLNR O43193 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL4342098 0.87 SIGMAR1 (0.31) ALDH1A1KDM4E
SCHEMBL4325058 0.82 GAA (0.37) ALDH1A1KDM4E
SCHEMBL4338696 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ECNR1CNR2
SCHEMBL4331963 0.78 PSEN1 (0.36) ALDH1A1CNR1CNR2
SCHEMBL4322304 0.77 POLB (0.36) ALDH1A1
SCHEMBL4331355 0.76 GAA (0.44) ALDH1A1KDM4E
SCHEMBL4331347 0.76 GAA (0.44) ALDH1A1KDM4E
SCHEMBL4332938 0.74 POLB (0.36) ALDH1A1
SCHEMBL4326601 0.73 ALDH1A1 (0.38) ALDH1A1KDM4ECNR1CNR2
SCHEMBL4326605 0.73 ALDH1A1 (0.38) ALDH1A1KDM4ECNR1CNR2

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 3010/4885CHEK2 3901/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885KDM4E 2338/4885CHEK2 4370/4885

“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.