SCHEMBL4325307

SCHEMBL4325307

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccccc3)CC2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MAOB P27338 1/20 0.48
CASP3 P42574 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.44
BACE1 P56817 2/20 0.43
HCRTR1 O43613 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL4325311 1.00 L3MBTL1 (0.52) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4331060 0.96 L3MBTL1 (0.48) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4331055 0.96 L3MBTL1 (0.48) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4322284 0.92 ALDH1A1 (0.48) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4322300 0.92 ALDH1A1 (0.48) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4557106 0.92 MAOB (0.43) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4557110 0.92 MAOB (0.43) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4336270 0.91 MAOB (0.47) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4336263 0.91 MAOB (0.47) L3MBTL1MAOBCASP3POLBRAB9A
SCHEMBL4329460 0.91 PKM (0.47) L3MBTL1MAOBCASP3POLBRAB9A

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 7 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-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 L3MBTL1 3722/4885MAOB 2762/4885CASP3 1550/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 L3MBTL1 3686/4885MAOB 3093/4885CASP3 2177/4885

“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.