SCHEMBL6449074

SCHEMBL6449074

N#CCC(=O)N([C]=O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
SNCA P37840 1/20 0.38
ALOX5 P09917 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
SCHEMBL8749389 0.81 POLB (0.51) MCL1ALDH1A1NPC1RAB9APOLB
SCHEMBL7405544 0.80 NPC1 (0.47) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL27415475 0.79 AOC3 (0.45) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL5289351 0.78 SNCA (0.41) ALDH1A1POLBTDP1KDM4ELMNA
SCHEMBL22803096 0.78 NPC1 (0.66) MCL1ALDH1A1NPC1RAB9APOLB
SCHEMBL2086991 0.77 NPC1 (0.63) MCL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL6449075 0.77 MCL1 (0.46) MCL1ALDH1A1NPC1RAB9APOLB
SCHEMBL27538080 0.75 NPC1 (0.43) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL3250775 0.75 TSPO (0.47) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL13541097 0.75 MEN1 (0.55) MCL1ALDH1A1NPC1RAB9APOLB

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-20050014690-A1 Styryl acrylonitrile compounds and their use to promote myelopoiesis THE HOSPITAL FOR SICK CHILDREN (CA) 2005-01-20 US disclosed
EP-1453500-A1 STYRYL ACRYLONITRILE COMPOUNDS AND THEIR USE TO PROMOTE MYELOPOIESIS THE HOSPITAL FOR SICK CHILDREN (CA) 2004-09-08 EP disclosed
WO-2003030895-A1 STYRYL ACRYLONITRILE COMPOUNDS AND THEIR USE TO PROMOTE MYELOPOIESIS THE HOSPITAL FOR SICK CHILDREN (CA) 2003-04-17 WO 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-20050014690-A1 Styryl acrylonitrile compounds and their use to promote myelopoiesis MCL1, MYD88, MYADM MCL1 1/4885ALDH1A1 40/4885NPC1 2679/4885

“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.