Sugi Predict

Sugi Predict / Compounds / SCHEMBL4331468

SCHEMBL4331468

SCHEMBL4331468

CN(C)[C@@H]1CCN(c2cc(N3CCN(c4cccc(Cl)c4)CC3)c(F)cc2/C=N/NC(N)=S)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 5/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ FPR1 P21462 2/20 0.39
▸ FPR2 P25090 2/20 0.39
▸ MCOLN2 Q8IZK6 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ NPY5R Q15761 1/20 0.37
▸ ALOX12 P18054 4/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ SETD2 Q9BYW2 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
SCHEMBL4331472 1.00 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4331312 1.00 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4331309 1.00 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4326941 0.92 MAOB (0.41) ALDH1A1MAPTKMT2AHTTFPR1
SCHEMBL4336325 0.92 MAOB (0.41) ALDH1A1MAPTKMT2AHTTFPR1
SCHEMBL4335627 0.92 WDR5 (0.41) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4335631 0.92 WDR5 (0.41) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL4457794 0.91 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1NPY5R
SCHEMBL4457797 0.91 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1NPY5R
SCHEMBL4327204 0.91 MAPT (0.43) ALDH1A1MAPTKMT2AMEN1HTT

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 ALDH1A1 1459/4885MAPT 3619/4885KMT2A 3988/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885KMT2A 3714/4885

“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.