SCHEMBL29970950

SCHEMBL29970950

CCCCOC(=O)NCc1ncc(Sc2cc3ccccc3c3ccccc23)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 3/20 0.39
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.37
TGFBR1 P36897 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FAAH O00519 3/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19259879 0.82 LOXL2 (0.39) SMN1; SMN2ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL29970758 0.76 LOXL2 (0.43) SMN1; SMN2RAB9AALDH1A1NPC1CYP1A2
SCHEMBL29970697 0.75 LOXL2 (0.42) SMN1; SMN2RAB9AALDH1A1NPC1CYP1A2
SCHEMBL19274461 0.75 PDPK1 (0.44) SMN1; SMN2RAB9ANPC1CYP1A2GAA
SCHEMBL29971049 0.75 PDPK1 (0.44) SMN1; SMN2RAB9ANPC1CYP1A2GAA
SCHEMBL28644286 0.74 LOXL2 (0.41) ALDH1A1CYP1A2CYP2C19KDM4EMAOA
SCHEMBL29970081 0.74 LOXL2 (0.43) ALDH1A1TSHRGAALOXL2
SCHEMBL19260160 0.74 LOXL2 (0.41) SMN1; SMN2RAB9AALDH1A1NPC1CYP1A2
SCHEMBL19274640 0.71 LOXL2 (0.40) SMN1; SMN2ALDH1A1TSHRGAAL3MBTL1
SCHEMBL30699957 0.71 LOXL2 (0.40) SMN1; SMN2ALDH1A1TSHRGAAL3MBTL1

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-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-11-24 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-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 SMN1; SMN2 3688/4885RAB9A 3478/4885ALDH1A1 2293/4885

“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.