SCHEMBL29409190

SCHEMBL29409190

O=C(CCc1ccccc1)Nc1cc(C(=O)O)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.61
GAA P10253 4/20 0.59
ALDH1A1 P00352 1/20 0.57
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CCKBR P32239 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NR3C2 P08235 1/20 0.53
HTT P42858 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.53
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
KDM5A P29375 2/20 0.52
KDM5B Q9UGL1 2/20 0.52

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
SCHEMBL3491650 1.00 RAB9A (0.61) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL3490414 0.88 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL4657943 0.88 FFAR1 (0.56) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL1767500 0.86 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL3492541 0.84 MAPT (0.66) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL31240652 0.83 LMNA (0.65) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL30367058 0.83 RAB9A (0.61) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL2714016 0.81 KDM4D (0.51) RAB9ASMN1; SMN2NPC1ALDH1A1KDM5A
SCHEMBL3493816 0.81 TDP1 (0.52) RAB9ASMN1; SMN2NPC1GAAALDH1A1
SCHEMBL7776518 0.81 GAA (0.83) RAB9ASMN1; SMN2NPC1GAAALDH1A1

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-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 US disclosed
EP-3962559-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES University of Houston System (US) 2022-03-09 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-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 RAB9A 2799/4885SMN1; SMN2 1456/4885NPC1 3105/4885

“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.