SCHEMBL4451251

SCHEMBL4451251

CN1CCN(c2cc(N3CCN(c4ccc(Cl)cc4)CC3)c(F)cc2C=NNC(N)=S)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 8/20 0.50
ALOX12 P18054 3/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
RAD52 P43351 1/20 0.39
BLM P54132 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MEN1 O00255 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
SCHEMBL4451250 1.00 ALDH1A1 (0.50) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4337053 0.91 ALDH1A1 (0.41) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4324349 0.91 MAPT (0.50) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4337050 0.91 ALDH1A1 (0.41) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4324352 0.91 MAPT (0.50) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4329890 0.90 MAPT (0.52) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4329892 0.90 MAPT (0.52) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL13887165 0.90 MAOB (0.48) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4336300 0.89 ALDH1A1 (0.52) ALDH1A1MAPTALOX12GAASMN1; SMN2
SCHEMBL4336306 0.89 ALDH1A1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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.