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Sugi Predict / Compounds / SCHEMBL4338126

SCHEMBL4338126

SCHEMBL4338126

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ MAOB P27338 1/20 0.39
▸ CYP2A13 Q16696 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALOX12 P18054 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ RRM2 P31350 1/20 0.38
▸ GCGR P47871 1/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL4338127 1.00 MAPT (0.43) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4329022 0.93 ALDH1A1 (0.45) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4329024 0.93 ALDH1A1 (0.45) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4343182 0.90 ALDH1A1 (0.48) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4343187 0.90 ALDH1A1 (0.48) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4329465 0.88 PKM (0.47) MAPTALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL4329460 0.88 PKM (0.47) MAPTALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL4329162 0.88 KDM4E (0.42) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4451957 0.88 MAPT (0.42) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4329165 0.88 KDM4E (0.42) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A

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 MAPT 3619/4885KDM4E 3010/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885KDM4E 2338/4885ALDH1A1 1173/4885

“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.