SCHEMBL5758067

SCHEMBL5758067

[c]1sc2ccccc2c1OCc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
KAT2A Q92830 2/20 0.34
KAT2B Q92831 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
PKM P14618 1/20 0.34
MPI P34949 1/20 0.34
EP300 Q09472 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL5758421 0.79 KDM4E (0.31) KDM4EMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL5758101 0.78 GABRA1 (0.39) ALDH1A1SLC6A3GABRA1GABRG2GABRB3
SCHEMBL5758704 0.77 KDM4E (0.40) KAT2AKAT2BKDM4EALDH1A1GABRA1
SCHEMBL5757552 0.73 GABRA1 (0.38) KDM1AMAOBKDM4EMAPTSLC6A3
SCHEMBL5761882 0.73 CYP1B1 (0.30) CYP1B1
SCHEMBL5759521 0.73 CHRM2 (0.38) KDM1AMAOBKDM4EALDH1A1GAA
SCHEMBL5760145 0.73 GABRA1 (0.40) KDM4EALDH1A1GABRA1GABRG2GABRB3
SCHEMBL805346 0.70 RAB9A (0.49) KDM1AMAOBALDH1A1MAPTSLC6A3
SCHEMBL5761594 0.70 GAA (0.42) ALDH1A1GAAMAPTTDP1GABRA1
SCHEMBL14782179 0.68 PDPK1 (0.46) KAT2AKAT2BKDM4EALDH1A1GAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-6329397-B1 TREATMENT OF A CONDITION SELECTED FROM THE GROUP CONSISTING OF ARTHRITIS, CANCER, AND OTHER DISEASES CHARACTERIZED BY MATRIX METALLOPROTEINASE OR MAMMALIAN REPROLYSIN ACTIVITY. PFIZER 2001-12-11 US disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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 (3 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 KDM1A 2887/4885MAOB 4221/4885KAT2A 1274/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 KDM1A 3146/4885MAOB 3725/4885KAT2A 1026/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 KDM1A 2971/4885MAOB 4492/4885KAT2A 390/4885

“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.