SCHEMBL4331965

SCHEMBL4331965

S=C(NCC1CCCO1)NN=CC1CCCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
GAA P10253 5/20 0.50
ALDH1A1 P00352 3/20 0.48
ALOX12 P18054 1/20 0.48
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
ALPG P10696 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4331960 1.00 SMN1; SMN2 (0.52) SMN1; SMN2GAAALDH1A1ALOX12HPGD
SCHEMBL4336640 0.89 GAA (0.47) SMN1; SMN2GAAALDH1A1HPGDKDM4E
SCHEMBL4336632 0.89 GAA (0.47) SMN1; SMN2GAAALDH1A1HPGDKDM4E
SCHEMBL4341401 0.89 GAA (0.47) SMN1; SMN2GAAALDH1A1ALOX12HPGD
SCHEMBL4341394 0.89 GAA (0.47) SMN1; SMN2GAAALDH1A1ALOX12HPGD
SCHEMBL4326191 0.87 GAA (0.48) SMN1; SMN2GAAALDH1A1ALOX12HPGD
SCHEMBL4326189 0.87 GAA (0.48) SMN1; SMN2GAAALDH1A1ALOX12HPGD
SCHEMBL4340044 0.87 GAA (0.45) SMN1; SMN2GAAALDH1A1HPGDKDM4E
SCHEMBL4340051 0.87 GAA (0.45) SMN1; SMN2GAAALDH1A1HPGDKDM4E
SCHEMBL4338699 0.81 ALDH1A1 (0.39) SMN1; SMN2GAAALDH1A1ALOX12HPGD

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 SMN1; SMN2 4740/4885GAA 2113/4885ALDH1A1 1459/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 SMN1; SMN2 4815/4885GAA 2263/4885ALDH1A1 1173/4885

“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.