SCHEMBL4344717

SCHEMBL4344717

Cc1cc(C=NNC(N)=S)c(C)n1-c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 1.00
MAPT P10636 11/20 0.79
ALOX12 P18054 6/20 0.79
GAA P10253 3/20 0.79
SMN1; SMN2 Q16637 6/20 0.77
LMNA P02545 5/20 0.73
HPGD P15428 3/20 0.73
MAPK1 P28482 1/20 0.73
HTT P42858 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
TDP1 Q9NUW8 2/20 0.67
KDM4E B2RXH2 5/20 0.66
KMT2A Q03164 1/20 0.66
MYC P01106 1/20 0.60
TSHR P16473 1/20 0.57
RAB9A P51151 6/20 0.55
NPC1 O15118 4/20 0.55
TAAR1 Q96RJ0 1/20 0.55
POLB P06746 2/20 0.55
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL4344714 1.00 ALDH1A1 (1.00) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4334387 0.87 ALDH1A1 (1.00) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4334391 0.87 ALDH1A1 (1.00) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4322235 0.84 ALDH1A1 (0.72) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4322231 0.84 ALDH1A1 (0.72) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4334914 0.82 ALDH1A1 (1.00) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4334911 0.82 ALDH1A1 (1.00) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4329376 0.80 MAPT (0.81) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4329373 0.80 MAPT (0.81) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4339996 0.78 ALDH1A1 (0.78) ALDH1A1MAPTALOX12GAASMN1; SMN2

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 1459/4885MAPT 3619/4885ALOX12 1149/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885ALOX12 952/4885

“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.