SCHEMBL4336606

SCHEMBL4336606

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccccc3Cl)CC2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 3/20 0.47
PLA2G1B P04054 1/20 0.47
RAB9A P51151 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
POLB P06746 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 3/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CARM1 Q86X55 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4336603 1.00 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL4340219 0.92 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL4340216 0.92 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL4326722 0.89 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL4326719 0.89 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E
SCHEMBL4330659 0.89 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL4330663 0.89 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2KDM4EPOLB
SCHEMBL4463105 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBLMNAHTT
SCHEMBL4463099 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBLMNAHTT
SCHEMBL4322333 0.87 MAPT (0.47) ALDH1A1MAPTSMN1; SMN2TDP1KDM4E

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 ALDH1A1 1459/4885MAPT 3619/4885SMN1; SMN2 4740/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885SMN1; SMN2 4815/4885

“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.