SCHEMBL4338942

SCHEMBL4338942

CN1CCN(c2cc(N3CCN(c4cccc(Cl)c4Cl)CC3)c(F)cc2C=NNC(N)=S)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
CSF1R P07333 1/20 0.43
MAOB P27338 2/20 0.42
PHGDH O43175 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.39
ALOX12 P18054 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCL1 Q07820 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4338940 1.00 DRD2 (0.50) DRD2DRD3CSF1RMAOBPHGDH
SCHEMBL4336499 0.93 MAOB (0.47) DRD2DRD3CSF1RMAOBALDH1A1
SCHEMBL4336498 0.93 MAOB (0.47) DRD2DRD3CSF1RMAOBALDH1A1
SCHEMBL4344377 0.87 MAOB (0.52) MAOBALDH1A1MAPTNPSR1KDM4E
SCHEMBL4344374 0.87 MAOB (0.52) MAOBALDH1A1MAPTNPSR1KDM4E
SCHEMBL4336300 0.86 ALDH1A1 (0.52) MAOBALDH1A1MAPTALOX12LMNA
SCHEMBL4336306 0.86 ALDH1A1 (0.52) MAOBALDH1A1MAPTALOX12LMNA
SCHEMBL4331017 0.85 ALDH1A1 (0.45) MAOBALDH1A1MAPTALOX12LMNA
SCHEMBL4331014 0.85 ALDH1A1 (0.45) MAOBALDH1A1MAPTALOX12LMNA
SCHEMBL4327291 0.85 MAOB (0.36) DRD2DRD3MAOBPHGDHALDH1A1

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 DRD2 3561/4885DRD3 3208/4885CSF1R 1971/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 DRD2 3440/4885DRD3 3120/4885CSF1R 1461/4885

“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.