SCHEMBL4323258

SCHEMBL4323258

NC(=S)NN=Cc1cc(F)c(N2CCN(Cc3ccccc3Cl)CC2)cc1N1CC[C@@H]2CCCC[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 3/20 0.39
PLA2G1B P04054 1/20 0.39
RAB9A P51151 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
CXCR4 P61073 3/20 0.36
MAOB P27338 1/20 0.36
KMT2A Q03164 1/20 0.36
NPY2R P49146 1/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
TOP2B Q02880 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL4323257 1.00 ALDH1A1 (0.43) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4322201 0.89 ALDH1A1 (0.46) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4322198 0.89 ALDH1A1 (0.46) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4338784 0.88 ALDH1A1 (0.45) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4338788 0.88 ALDH1A1 (0.45) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4343260 0.88 ALDH1A1 (0.45) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4343256 0.88 ALDH1A1 (0.45) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4330358 0.88 ALDH1A1 (0.47) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4330356 0.88 ALDH1A1 (0.47) ALDH1A1HTTMAPTSMN1; SMN2TDP1
SCHEMBL4327721 0.85 ALDH1A1 (0.49) ALDH1A1HTTMAPTSMN1; SMN2TDP1

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 1459/4885HTT 2994/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885HTT 3282/4885MAPT 3876/4885

“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.