SCHEMBL4338706

SCHEMBL4338706

Cc1ccccc1-c1ccc(C=NNC(=S)NCc2ccccn2)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.58
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
ALOX12 P18054 1/20 0.51
PHGDH O43175 4/20 0.47
NPFFR1 Q9GZQ6 1/20 0.45
NPFFR2 Q9Y5X5 1/20 0.45
TOP2A P11388 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4338698 1.00 HKDC1 (0.58) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4338718 0.87 HKDC1 (0.55) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4338708 0.87 HKDC1 (0.55) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4330991 0.85 HKDC1 (0.55) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4330987 0.85 HKDC1 (0.55) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4324320 0.83 LMNA (0.56) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4324314 0.83 LMNA (0.56) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4464598 0.83 HKDC1 (0.54) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4464609 0.83 HKDC1 (0.54) HKDC1ALDH1A1LMNAHPGDALOX12
SCHEMBL4329322 0.83 HKDC1 (0.54) HKDC1ALDH1A1LMNAHPGDALOX12

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 3 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-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 HKDC1 1857/4885ALDH1A1 1459/4885LMNA 4884/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 HKDC1 2089/4885ALDH1A1 1173/4885LMNA 4885/4885

“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.