SCHEMBL4331963

SCHEMBL4331963

NC(=S)N(CC1CCCO1)N=CC1CCCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KCNH2 Q12809 2/20 0.36
CHIT1 Q13231 2/20 0.36
CHIA Q9BZP6 2/20 0.36
OXTR P30559 1/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ALOX12 P18054 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 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
SCHEMBL4336634 0.89 MEN1 (0.34) KMT2ASMN1; SMN2POLBALDH1A1HPGD
SCHEMBL4341398 0.89 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4326190 0.87 ALDH1A1 (0.35) KMT2ASMN1; SMN2OXTRPOLBALDH1A1
SCHEMBL4340047 0.87 HCRTR1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4325058 0.80 GAA (0.37) ALDH1A1
SCHEMBL4338696 0.79 ALDH1A1 (0.40) ALDH1A1CNR1CNR2HPGD
SCHEMBL4322304 0.79 POLB (0.36) KMT2ASMN1; SMN2POLBTP53ALDH1A1
SCHEMBL4331350 0.78 ALDH1A1 (0.33) ALDH1A1CNR1CNR2
SCHEMBL4332938 0.76 POLB (0.36) KMT2ASMN1; SMN2POLBTP53ALDH1A1
SCHEMBL4331960 0.76 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2POLBALDH1A1ALOX12

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 PSEN1 4545/4885PSEN2 4589/4885APH1B 2601/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PSEN1 4747/4885PSEN2 4799/4885APH1B 2895/4885

“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.