SCHEMBL4327729

SCHEMBL4327729

NC(=S)NN=Cc1cc(F)c(N2CCN(Cc3ccccc3Cl)CC2)cc1N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
ATM Q13315 3/20 0.49
CXCR4 P61073 6/20 0.42
CCR3 P51677 1/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLA2G1B P04054 1/20 0.39
RAB9A P51151 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL4327721 1.00 ALDH1A1 (0.49) ALDH1A1ATMCXCR4CCR3SLC6A2
SCHEMBL13612323 0.93 ALDH1A1 (0.41) ALDH1A1ATMSLC6A2SLC6A4HTT
SCHEMBL4322201 0.88 ALDH1A1 (0.46) ALDH1A1HTTMAPTKDM4ESMN1; SMN2
SCHEMBL4322198 0.88 ALDH1A1 (0.46) ALDH1A1HTTMAPTKDM4ESMN1; SMN2
SCHEMBL4343260 0.87 ALDH1A1 (0.45) ALDH1A1HTTMAPTKDM4ESMN1; SMN2
SCHEMBL4343256 0.87 ALDH1A1 (0.45) ALDH1A1HTTMAPTKDM4ESMN1; SMN2
SCHEMBL4338788 0.87 ALDH1A1 (0.45) ALDH1A1HTTMAPTKDM4ESMN1; SMN2
SCHEMBL4338784 0.87 ALDH1A1 (0.45) ALDH1A1HTTMAPTKDM4ESMN1; SMN2
SCHEMBL4323258 0.85 ALDH1A1 (0.43) ALDH1A1CXCR4HTTMAPTKDM4E
SCHEMBL4323257 0.85 ALDH1A1 (0.43) ALDH1A1CXCR4HTTMAPTKDM4E

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 1459/4885ATM 2157/4885CXCR4 659/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885ATM 2907/4885CXCR4 528/4885

“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.