SCHEMBL4331008

SCHEMBL4331008

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3cccc(Cl)c3)CC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX12 P18054 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAOB P27338 1/20 0.45
HCRTR1 O43613 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GNRHR P30968 1/20 0.42

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
SCHEMBL4331009 1.00 PKM (0.48) PKMSIGMAR1ALDH1A1ALOX12NPSR1
SCHEMBL13611676 0.92 L3MBTL1 (0.47) PKMALDH1A1MAOBPOLBLMNA
SCHEMBL4325216 0.91 PKM (0.52) PKMALDH1A1ALOX12MAOBKMT2A
SCHEMBL4325211 0.91 PKM (0.52) PKMALDH1A1ALOX12MAOBKMT2A
SCHEMBL4335100 0.89 PKM (0.48) PKMSIGMAR1ALDH1A1ALOX12NPSR1
SCHEMBL4335097 0.89 PKM (0.48) PKMSIGMAR1ALDH1A1ALOX12NPSR1
SCHEMBL4331682 0.88 TYR (0.47) PKMSIGMAR1ALDH1A1ALOX12NPSR1
SCHEMBL4331677 0.88 TYR (0.47) PKMSIGMAR1ALDH1A1ALOX12NPSR1
SCHEMBL4330698 0.88 L3MBTL1 (0.45) PKMALDH1A1MAOBPOLBLMNA
SCHEMBL4330700 0.88 L3MBTL1 (0.45) PKMALDH1A1MAOBPOLBLMNA

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 4105/4885SIGMAR1 948/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PKM 4038/4885SIGMAR1 776/4885ALDH1A1 1173/4885

“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.