Sugi Predict

Sugi Predict / Compounds / SCHEMBL4324463

SCHEMBL4324463

SCHEMBL4324463

NC(=S)N/N=C/c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ PKM P14618 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ HCRTR1 O43613 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CARM1 Q86X55 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL4324466 1.00 ALDH1A1 (0.46) ALDH1A1PKMPOLBSIGMAR1HCRTR1
SCHEMBL4463105 0.92 ALDH1A1 (0.53) ALDH1A1POLBACHELMNACA1
SCHEMBL4463099 0.92 ALDH1A1 (0.53) ALDH1A1POLBACHELMNACA1
SCHEMBL4331921 0.91 PKM (0.46) ALDH1A1PKMPOLBSIGMAR1HCRTR1
SCHEMBL4331926 0.91 PKM (0.46) ALDH1A1PKMPOLBSIGMAR1HCRTR1
SCHEMBL4340510 0.89 ALDH1A1 (0.50) ALDH1A1POLBACHELMNACA1
SCHEMBL4337985 0.89 TYR (0.49) ALDH1A1PKMPOLBSIGMAR1KMT2A
SCHEMBL4337981 0.89 TYR (0.49) ALDH1A1PKMPOLBSIGMAR1KMT2A
SCHEMBL4340507 0.89 ALDH1A1 (0.50) ALDH1A1POLBACHELMNACA1
SCHEMBL4335100 0.89 PKM (0.48) ALDH1A1PKMPOLBSIGMAR1HCRTR1

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 ALDH1A1 1459/4885PKM 4105/4885POLB 3179/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885PKM 4038/4885POLB 3934/4885

“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.