SCHEMBL4329338

SCHEMBL4329338

NC(=S)NN=Cc1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
ALOX12 P18054 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HCRTR1 O43613 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 4/20 0.48
TSHR P16473 1/20 0.48
KDM4E B2RXH2 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 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
SCHEMBL4329336 1.00 ALDH1A1 (0.49) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4331128 0.93 DRD2 (0.48) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4331135 0.93 DRD2 (0.48) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4326403 0.89 DRD2 (0.45) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4326407 0.89 DRD2 (0.45) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4334865 0.89 MAPT (0.51) ALDH1A1ALOX12NPSR1KMT2AMAPT
SCHEMBL4334867 0.89 MAPT (0.51) ALDH1A1ALOX12NPSR1KMT2AMAPT
SCHEMBL4330727 0.88 ALDH1A1 (0.46) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4330730 0.88 ALDH1A1 (0.46) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4324243 0.87 MAPT (0.48) ALDH1A1ALOX12CYP1A2CYP2C9CYP2C19

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 1459/4885ALOX12 1149/4885NPSR1 4026/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885ALOX12 952/4885NPSR1 3492/4885

“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.