Sugi Predict

Sugi Predict / Compounds / SCHEMBL4344374

SCHEMBL4344374

SCHEMBL4344374

CN1CCN(c2cc(N3CCN(c4ccccc4F)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.52
▸ GAA P10253 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ MCL1 Q07820 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MYC P01106 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL4344377 1.00 MAOB (0.52) MAOBGAAMAPTATMNPSR1
SCHEMBL4332872 0.92 MAOB (0.47) MAOBGAAMAPTATMNPSR1
SCHEMBL4332877 0.92 MAOB (0.47) MAOBGAAMAPTATMNPSR1
SCHEMBL4336498 0.92 MAOB (0.47) MAOBGAAMAPTATMNPSR1
SCHEMBL4336499 0.92 MAOB (0.47) MAOBGAAMAPTATMNPSR1
SCHEMBL13887165 0.91 MAOB (0.48) MAOBGAAMAPTATMNPSR1
SCHEMBL4327844 0.89 MAOB (0.45) MAOBGAAMAPTATMNPSR1
SCHEMBL4327840 0.89 MAOB (0.45) MAOBGAAMAPTATMNPSR1
SCHEMBL4331017 0.88 ALDH1A1 (0.45) MAOBGAAMAPTATMNPSR1
SCHEMBL4331014 0.88 ALDH1A1 (0.45) MAOBGAAMAPTATMNPSR1

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 MAOB 2762/4885GAA 2113/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885GAA 2263/4885MAPT 3876/4885

“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.