Sugi Predict

Sugi Predict / Compounds / SCHEMBL4329807

SCHEMBL4329807

SCHEMBL4329807

CN(C)[C@@H]1CCN(c2cc(N3CCC(c4ccccc4)C3)c(F)cc2/C=N/NC(N)=S)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.40
▸ MCHR1 Q99705 1/20 0.38
▸ MYC P01106 1/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 6/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ ALOX12 P18054 3/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ BTK Q06187 2/20 0.34

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
SCHEMBL4329808 1.00 MAOB (0.40) MAOBMCHR1MYCNPC1RAB9A
SCHEMBL4333914 0.97 MAOB (0.40) MAOBMCHR1MYCNPC1RAB9A
SCHEMBL4333920 0.97 MAOB (0.40) MAOBMCHR1MYCNPC1RAB9A
SCHEMBL4336696 0.90 MAOB (0.36) MAOBMCHR1MAPTALDH1A1ALOX12
SCHEMBL4336693 0.90 MAOB (0.36) MAOBMCHR1MAPTALDH1A1ALOX12
SCHEMBL4331058 0.89 MAOB (0.40) MAOBMCHR1MAPTALDH1A1ALOX12
SCHEMBL4331051 0.89 MAOB (0.40) MAOBMCHR1MAPTALDH1A1ALOX12
SCHEMBL4331695 0.89 MAOB (0.41) MAOBMCHR1MYCMAPTALDH1A1
SCHEMBL4331693 0.89 MAOB (0.41) MAOBMCHR1MYCMAPTALDH1A1
SCHEMBL13612364 0.88 ALDH1A1 (0.39) MAOBMCHR1MYCMAPTALDH1A1

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 MAOB 2762/4885MCHR1 2909/4885MYC 2720/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885MCHR1 2583/4885MYC 3520/4885

“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.