SCHEMBL4455900

SCHEMBL4455900

S=C(NCC1CCCO1)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
HPGD P15428 7/20 0.59
ALDH1A1 P00352 7/20 0.59
MEN1 O00255 6/20 0.59
MAPT P10636 5/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 6/20 0.58
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PHGDH O43175 3/20 0.54
KDM4E B2RXH2 5/20 0.53
POLB P06746 4/20 0.52
ALPL P05186 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
CTDSP1 Q9GZU7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.47

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
SCHEMBL4455893 1.00 KMT2A (0.59) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4332809 0.89 GAA (0.61) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4332803 0.89 GAA (0.61) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4329484 0.88 GAA (0.57) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4329474 0.88 GAA (0.57) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4328249 0.85 ALDH1A1 (0.64) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4328243 0.85 ALDH1A1 (0.64) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4455860 0.81 PHGDH (0.77) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL13886982 0.81 PHGDH (0.77) KMT2AHPGDALDH1A1MEN1MAPT
SCHEMBL4341230 0.80 KMT2A (0.68) KMT2AHPGDALDH1A1MEN1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KMT2A 3714/4885HPGD 1495/4885ALDH1A1 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.