SCHEMBL25252948

SCHEMBL25252948

O=C(O)N1CC(c2ccc(C3CCS(=O)(=O)C3)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TP53 P04637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
IKBKB O14920 1/20 0.34
USP30 Q70CQ3 1/20 0.33
F2R P25116 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL25255870 0.79 PDE4B (0.43) NAMPT
SCHEMBL23091827 0.78 HDAC1 (0.46) SMN1; SMN2KMT2ANPC1RAB9ATP53
SCHEMBL960888 0.76 L3MBTL1 (0.45) SMN1; SMN2LMNATP53ALDH1A1MAPT
SCHEMBL23728188 0.75 ALDH1A1 (0.46) NAMPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL23148291 0.74 USP30 (0.47) USP30
SCHEMBL31703460 0.74 RAB9A (0.51) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL20408764 0.73 MAPT (0.44) SMN1; SMN2LMNAKMT2ARAB9ATP53
SCHEMBL15513886 0.73 SLC18A3 (0.42) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL22804482 0.73 BRD4 (0.46) SMN1; SMN2LMNAKMT2ANPC1RAB9A
SCHEMBL23453444 0.73 SMN1; SMN2 (0.49) SMN1; SMN2LMNANPC1RAB9ATP53

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-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY NAMPT 1819/4885SMN1; SMN2 3555/4885LMNA 154/4885

“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.