SCHEMBL4338696

SCHEMBL4338696

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SIGMAR1 Q99720 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
CCR2 P41597 1/20 0.33
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL4325058 0.83 GAA (0.37) ALDH1A1KDM4EGAACCR2SPHK2
SCHEMBL4331350 0.81 ALDH1A1 (0.33) ALDH1A1KDM4ECNR1CNR2
SCHEMBL4326601 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EGAACNR1CNR2
SCHEMBL4326605 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EGAACNR1CNR2
SCHEMBL4331963 0.79 PSEN1 (0.36) ALDH1A1HPGDCNR1CNR2
SCHEMBL4322304 0.78 POLB (0.36) ALDH1A1GAA
SCHEMBL4330375 0.76 GAA (0.40) ALDH1A1GAACCR2SPHK2SPHK1
SCHEMBL4330378 0.76 GAA (0.40) ALDH1A1GAACCR2SPHK2SPHK1
SCHEMBL4338699 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHPGDCNR1
SCHEMBL13612259 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EGAAHPGDCNR1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3010/4885SIGMAR1 948/4885

“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.