SCHEMBL3228748

SCHEMBL3228748

O=C(O)C1=CCC2C(=Cc3cn4c5c(sc4n3)CCCC5)C(=O)N12.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.35
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
GFER P55789 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL3228736 1.00 NPC1 (0.38) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL13424072 0.99 NPC1 (0.39) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3229437 0.97 NPC1 (0.36) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3229443 0.97 NPC1 (0.36) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3228741 0.90 NPC1 (0.35) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3209726 0.86
SCHEMBL3209722 0.86
SCHEMBL3592809 0.82 NPC1 (0.39) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3582105 0.82 NPC1 (0.39) NPC1ALDH1A1TP53MAPTRAB9A
SCHEMBL3592807 0.82 NPC1 (0.39) NPC1ALDH1A1TP53MAPTRAB9A

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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 US claimed
US-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors WYETH (US) 2010-03-11 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-20100063023-A1 Bicyclic and Tricyclic Substituted 6-Methylidene Carbapenems as Broad Spectrum Beta-Lactamase Inhibitors MGAM, CYP2C18, BCAT2 NPC1 1475/4885ALDH1A1 688/4885TP53 4660/4885

“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.