SCHEMBL23076115

SCHEMBL23076115

CC/C=C/C(=O)NC1CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 2/20 0.43
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
EPHX2 P34913 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21226235 0.90 SMN1; SMN2 (0.59) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL4882587 0.89 POLB (0.48) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL5275886 0.89 POLB (0.48) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL4204560 0.89 POLB (0.48) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL4881266 0.86 ALDH1A1 (0.50) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL4447455 0.86 ALDH1A1 (0.50) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL328973 0.84 POLB (0.57) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL328974 0.84 POLB (0.57) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL26022714 0.80 POLB (0.35) POLBSMN1; SMN2NPC1HTTGAA
SCHEMBL6245525 0.78

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 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-20210070743-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 POLB 2900/4885SMN1; SMN2 1682/4885NPC1 976/4885

“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.