SCHEMBL4336455

SCHEMBL4336455

CC(C)(C)c1ccc(CN2CCN(c3cc(F)c(C=NNC(N)=S)cc3F)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MAOB P27338 1/20 0.39
NPY2R P49146 1/20 0.38
ALDH1A1 P00352 5/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
MAOA P21397 1/20 0.36
RRM2 P31350 1/20 0.36
KDM4E B2RXH2 1/20 0.35
DRD4 P21917 2/20 0.35

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
SCHEMBL4336453 1.00 POLB (0.41) POLBCASP3RAB9ASENP7SENP6
SCHEMBL13611549 0.91 ALDH1A1 (0.46) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4330311 0.89 POLB (0.52) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4330305 0.89 POLB (0.52) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4557106 0.89 MAOB (0.43) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4557110 0.89 MAOB (0.43) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4329460 0.88 PKM (0.47) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4329465 0.88 PKM (0.47) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4326169 0.88 LMNA (0.42) POLBMAOBNPY2RALDH1A1GAA
SCHEMBL4326165 0.88 LMNA (0.42) POLBMAOBNPY2RALDH1A1GAA

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 POLB 3179/4885CASP3 1550/4885RAB9A 2667/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 POLB 3934/4885CASP3 2177/4885RAB9A 2447/4885

“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.