SCHEMBL21533489

SCHEMBL21533489

Cc1ccc(NC(=O)CCCOc2ccccc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.73
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
ALDH1A1 P00352 3/20 0.67
KMT2A Q03164 3/20 0.58
TP53 P04637 1/20 0.58
HTT P42858 1/20 0.58
GAA P10253 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL21533499 0.84 LMNA (1.00) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21533494 0.84 LMNA (0.73) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21533442 0.81 LMNA (0.68) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL1849856 0.80 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1848388 0.79 L3MBTL1 (0.72) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL28154099 0.79 TSHR (0.68) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21533443 0.78 ALDH1A1 (0.88) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1852828 0.77 RAB9A (0.64) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL5788823 0.76 RAB9A (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL22607250 0.76 KMT2A (0.84) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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-20190330167-A1 ACTIVATORS OF HIV LATENCY THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2019-10-31 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-20190330167-A1 ACTIVATORS OF HIV LATENCY NFATC1, EP300, CD69 LMNA 1695/4885NPC1 652/4885RAB9A 2862/4885

“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.