SCHEMBL4453898

SCHEMBL4453898

COC(=O)c1ccc(-c2ccc(/C=N/NC(N)=S)o2)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.71
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
MAPT P10636 4/20 0.71
NPSR1 Q6W5P4 3/20 0.71
ALDH1A1 P00352 3/20 0.71
HTT P42858 1/20 0.71
CTSL P07711 1/20 0.64
PHGDH O43175 3/20 0.61
LMNA P02545 2/20 0.60
PKM P14618 1/20 0.60
ALOX12 P18054 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 3/20 0.60
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL4453904 1.00 HPGD (0.71) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL4326729 0.83 MEN1 (1.00) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL4326725 0.83 MEN1 (1.00) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL4330557 0.82 MAPT (0.80) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL4330558 0.82 MAPT (0.80) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL4323444 0.82 PHGDH (0.81) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL4323441 0.82 PHGDH (0.81) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL4335238 0.81 MAPT (0.63) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL4335231 0.81 MAPT (0.63) HPGDMEN1KMT2AMAPTNPSR1
SCHEMBL20115495 0.79 PHGDH (0.72) HPGDMEN1KMT2AMAPTALDH1A1

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 HPGD 1646/4885MEN1 4874/4885KMT2A 3988/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 HPGD 1495/4885MEN1 4872/4885KMT2A 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.