SCHEMBL4333822

SCHEMBL4333822

NC(=S)N(Cc1cccnc1)N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
NPSR1 Q6W5P4 6/20 0.50
HPGD P15428 6/20 0.50
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
HTT P42858 5/20 0.50
MAPT P10636 5/20 0.50
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TP53 P04637 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
PAX8 Q06710 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
CYP2A6 P11509 3/20 0.41
CYP3A4 P08684 3/20 0.41
POLB P06746 3/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL4329107 0.90 ALDH1A1 (0.45) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4334594 0.89 MAPT (0.46) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4338798 0.86 CYP2A6 (0.48) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4336312 0.86 ALDH1A1 (0.51) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4329428 0.85 CYP2A6 (0.43) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4331909 0.85 CYP2A6 (0.43) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4323303 0.85 KDM4E (0.42) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4340661 0.85 CYP2A6 (0.42) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4344682 0.84 MAPT (0.42) ALDH1A1NPSR1HPGDKMT2AMEN1
SCHEMBL4557720 0.83 CYP2A6 (0.38) ALDH1A1HPGDMAPTSMN1; SMN2CYP2A6

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 ALDH1A1 1459/4885NPSR1 4026/4885HPGD 1646/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885NPSR1 3492/4885HPGD 1495/4885

“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.