SCHEMBL4335612

SCHEMBL4335612

NC(=S)N/N=C/c1ccc(N2CCN(Cc3ccc(Cl)cc3)CC2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
THRB P10828 1/20 0.45
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TYR P14679 1/20 0.41
AGTR1 P30556 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.40
CACNA1G O43497 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
SCHEMBL4335617 1.00 PKM (0.53) PKMSMN1; SMN2MAPTALDH1A1THRB
SCHEMBL4331500 0.93 TYR (0.48) PKMSMN1; SMN2MAPTALDH1A1MAOA
SCHEMBL4331495 0.93 TYR (0.48) PKMSMN1; SMN2MAPTALDH1A1MAOA
SCHEMBL4335100 0.91 PKM (0.48) PKMSMN1; SMN2ALDH1A1MAOBKDM4E
SCHEMBL4335097 0.91 PKM (0.48) PKMSMN1; SMN2ALDH1A1MAOBKDM4E
SCHEMBL4324030 0.91 TYR (0.49) PKMSMN1; SMN2MAPTMAOAMAOB
SCHEMBL4324032 0.91 TYR (0.49) PKMSMN1; SMN2MAPTMAOAMAOB
SCHEMBL4331509 0.91 HTT (0.48) PKMSMN1; SMN2MAPTALDH1A1MAOA
SCHEMBL4331513 0.91 HTT (0.48) PKMSMN1; SMN2MAPTALDH1A1MAOA
SCHEMBL4331638 0.91 ACHE (0.48) PKMALDH1A1MAOBL3MBTL1POLB

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 PKM 4105/4885SMN1; SMN2 4740/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PKM 4038/4885SMN1; SMN2 4815/4885MAPT 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.