Sugi Predict

Sugi Predict / Compounds / SCHEMBL4336678

SCHEMBL4336678

SCHEMBL4336678

CC(c1ccccc1)N1CCN(c2ccc(/C=N/NC(N)=S)c(C(F)(F)F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MAOB P27338 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ MAPT P10636 7/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ ALOX12 P18054 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ GAA P10253 5/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MYC P01106 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
SCHEMBL4336682 1.00 NPSR1 (0.39) NPSR1MAOBATMMAPTALDH1A1
SCHEMBL4329876 0.86 ALDH1A1 (0.45) NPSR1MAOBATMMAPTALDH1A1
SCHEMBL4329879 0.86 ALDH1A1 (0.45) NPSR1MAOBATMMAPTALDH1A1
SCHEMBL4338782 0.84 ALDH1A1 (0.39) MAOBMAPTALDH1A1ALOX12LMNA
SCHEMBL4338789 0.84 ALDH1A1 (0.39) MAOBMAPTALDH1A1ALOX12LMNA
SCHEMBL4331946 0.83 KDM4E (0.49) MAOBATMMAPTALDH1A1LMNA
SCHEMBL4331949 0.83 KDM4E (0.49) MAOBATMMAPTALDH1A1LMNA
SCHEMBL4330316 0.81 LMNA (0.42) MAOBALDH1A1LMNAGAAKDM4E
SCHEMBL4330319 0.81 LMNA (0.42) MAOBALDH1A1LMNAGAAKDM4E
SCHEMBL4332266 0.79 MAOB (0.44) NPSR1MAOBATMMAPTALDH1A1

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 6 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-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 NPSR1 4026/4885MAOB 2762/4885ATM 2157/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 NPSR1 3492/4885MAOB 3093/4885ATM 2907/4885

“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.