SCHEMBL4338614

SCHEMBL4338614

CN1CCN(c2cc(N3CCC(c4ccc(Cl)cc4)CC3)c(F)cc2C=NNC(N)=S)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
ALOX12 P18054 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 3/20 0.40
MCL1 Q07820 2/20 0.40
MAOB P27338 1/20 0.38
LSS P48449 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.34
DRD2 P14416 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4338612 1.00 ALDH1A1 (0.42) ALDH1A1MAPTGAAALOX12SMN1; SMN2
SCHEMBL4326810 0.93 MCL1 (0.47) ALDH1A1MAPTGAAALOX12POLB
SCHEMBL4326813 0.93 MCL1 (0.47) ALDH1A1MAPTGAAALOX12POLB
SCHEMBL4329124 0.91 MAOB (0.44) ALDH1A1MAPTGAAALOX12POLB
SCHEMBL4322348 0.91 MAOB (0.44) ALDH1A1MAPTGAAALOX12POLB
SCHEMBL4336436 0.90 ALDH1A1 (0.42) ALDH1A1MAPTGAAALOX12SMN1; SMN2
SCHEMBL4336431 0.90 ALDH1A1 (0.42) ALDH1A1MAPTGAAALOX12SMN1; SMN2
SCHEMBL4322214 0.89 ALDH1A1 (0.43) ALDH1A1MAPTGAAPOLBMCL1
SCHEMBL4322211 0.89 ALDH1A1 (0.43) ALDH1A1MAPTGAAPOLBMCL1
SCHEMBL4451251 0.88 ALDH1A1 (0.50) ALDH1A1MAPTGAAALOX12SMN1; 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 3619/4885GAA 2113/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885GAA 2263/4885

“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.