SCHEMBL4329438

SCHEMBL4329438

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccccc3Cl)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.43
MAOB P27338 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
RRM2 P31350 1/20 0.41

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
SCHEMBL4329441 1.00 MAPT (0.46) MAPTPOLBNPSR1ALDH1A1KDM4E
SCHEMBL4331357 0.91 KMT2A (0.47) MAPTPOLBALDH1A1KDM4EKMT2A
SCHEMBL4331351 0.91 KMT2A (0.47) MAPTPOLBALDH1A1KDM4EKMT2A
SCHEMBL4328156 0.89 CYP2A13 (0.42) MAPTPOLBNPSR1ALDH1A1KDM4E
SCHEMBL4328152 0.89 CYP2A13 (0.42) MAPTPOLBNPSR1ALDH1A1KDM4E
SCHEMBL4326722 0.89 ALDH1A1 (0.49) MAPTPOLBNPSR1ALDH1A1KDM4E
SCHEMBL4326719 0.89 ALDH1A1 (0.49) MAPTPOLBNPSR1ALDH1A1KDM4E
SCHEMBL4331739 0.88 ALDH1A1 (0.45) MAPTPOLBNPSR1ALDH1A1KDM4E
SCHEMBL4331737 0.88 ALDH1A1 (0.45) MAPTPOLBNPSR1ALDH1A1KDM4E
SCHEMBL13611676 0.88 L3MBTL1 (0.47) POLBALDH1A1MAOBLMNA

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 6 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
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-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 MAPT 3619/4885POLB 3179/4885NPSR1 4026/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885POLB 3934/4885NPSR1 3492/4885

“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.