SCHEMBL4344679

SCHEMBL4344679

S=C(NCc1cccnc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.55
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 5/20 0.55
LMNA P02545 4/20 0.55
HPGD P15428 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
POLB P06746 2/20 0.53
MAPK1 P28482 3/20 0.52
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PHGDH O43175 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 3/20 0.45
PKM P14618 1/20 0.45
MCL1 Q07820 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4344685 1.00 MAPT (0.55) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4336318 0.93 ALDH1A1 (0.65) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4336309 0.93 ALDH1A1 (0.65) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4323308 0.90 PHGDH (0.52) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4323299 0.90 PHGDH (0.52) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4329121 0.87 PHGDH (0.61) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4329114 0.87 PHGDH (0.61) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4334592 0.86 MAPT (0.56) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4334596 0.86 MAPT (0.56) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL4333824 0.84 ALDH1A1 (0.58) MAPTALDH1A1KDM4ELMNAHPGD

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

“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.