SCHEMBL22021946

SCHEMBL22021946

CC(C)n1cc(C(=O)P)nn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESRRA P11474 3/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL14262405 0.90 ACHE (0.36) ACHELMNARECQLALDH1A1SMN1; SMN2
SCHEMBL6071498 0.82 ACHE (0.36) ACHELMNARECQLSMN1; SMN2
SCHEMBL12877389 0.81 SCD (0.40) ACHELMNARECQLALDH1A1ESRRA
SCHEMBL12379165 0.81 ACHE (0.39) ACHELMNARECQLALDH1A1SMN1; SMN2
SCHEMBL24958399 0.78 ACHE (0.36) ACHELMNARECQLALDH1A1SMN1; SMN2
SCHEMBL14262390 0.78 CA12 (0.44) LMNARECQL
SCHEMBL25617485 0.78 GPR88 (0.34) ACHELMNARECQLALDH1A1SMN1; SMN2
SCHEMBL21908208 0.78 LMNA (0.40) LMNARECQLALDH1A1SMN1; SMN2NPSR1
SCHEMBL18767837 0.78 ACHE (0.39) ACHELMNARECQLALDH1A1SMN1; SMN2
SCHEMBL15158980 0.76 LMNA (0.33) LMNARECQLALDH1A1SMN1; SMN2NPSR1

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-20200157138-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES UNIVERSITY OF SOUTHERN CALIFORNIA 2020-05-21 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-20200157138-A1 NICOTINAMIDE ADENINE DINUCLEOTIDE ANALOGUES NAMPT, NNT, NNMT ACHE 4629/4885LMNA 1042/4885RECQL 430/4885

“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.