SCHEMBL437900

SCHEMBL437900

Cc1ccc(CNC(=O)NCCOCCNC(=O)NC(COCCC(=O)ONO)(COCCC(=O)ONO)COCCC(=O)ONO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
TP53 P04637 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPID Q08752 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PPIB P23284 1/20 0.36
PPIA P62937 1/20 0.36
PPIG Q13427 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
ANPEP P15144 1/20 0.35
ACHE P22303 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
SCHEMBL437902 0.91 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL437862 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL436814 0.80 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL12760553 0.74 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL436799 0.73 ALDH1A1 (0.55) HPGDMEN1KMT2AALDH1A1USP2
SCHEMBL439237 0.72 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL437829 0.71 ALDH1A1 (0.54) HPGDMEN1KMT2AALDH1A1USP2
SCHEMBL2730689 0.67 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL10093552 0.66 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATP53HPGD
SCHEMBL20649314 0.65 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ATP53HPGD

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-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 SMN1; SMN2 2888/4885NPC1 4509/4885RAB9A 3996/4885

“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.