SCHEMBL4332065

SCHEMBL4332065

NC(=S)NN=Cc1cc(F)c(N2CCN(Cc3ccc(F)cc3F)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAOB P27338 2/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 2/20 0.39
GLA P06280 1/20 0.39
RRM2 P31350 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
GPR6 P46095 1/20 0.37
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
ABCB1 P08183 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4332060 1.00 KDM4E (0.43) KDM4ELMNASMN1; SMN2MAOBALDH1A1
SCHEMBL4329022 0.91 ALDH1A1 (0.45) KDM4ELMNASMN1; SMN2MAOBALDH1A1
SCHEMBL4329024 0.91 ALDH1A1 (0.45) KDM4ELMNASMN1; SMN2MAOBALDH1A1
SCHEMBL4324288 0.89 MAOB (0.50) KDM4ELMNASMN1; SMN2MAOBALDH1A1
SCHEMBL4324284 0.89 MAOB (0.50) KDM4ELMNASMN1; SMN2MAOBALDH1A1
SCHEMBL4335723 0.89 ALDH1A1 (0.42) KDM4ELMNAMAOBALDH1A1KMT2A
SCHEMBL4453808 0.89 ALDH1A1 (0.42) KDM4ELMNAMAOBALDH1A1KMT2A
SCHEMBL4557110 0.88 MAOB (0.43) KDM4ELMNAMAOBALDH1A1KMT2A
SCHEMBL4557106 0.88 MAOB (0.43) KDM4ELMNAMAOBALDH1A1KMT2A
SCHEMBL4338126 0.85 MAPT (0.43) KDM4ELMNASMN1; SMN2MAOBALDH1A1

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 KDM4E 3010/4885LMNA 4884/4885SMN1; SMN2 4740/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 2338/4885LMNA 4885/4885SMN1; 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.