SCHEMBL5754479

SCHEMBL5754479

[c]1c2ccccc2cn1OCc1cccs1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
HTT P42858 2/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 2/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GAA P10253 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL5760227 0.68 SMN1; SMN2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5757248 0.67 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6733610 0.63 TAAR1 (0.50) HTTRAB9AALDH1A1NPC1L3MBTL1
SCHEMBL5758319 0.63 HTT (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2079784 0.63 MEN1 (0.51) HTTRAB9ASMN1; SMN2ALDH1A1NPC1
Hydrochloric Acid SCHEMBL1769295 0.62 ALDH1A1 (0.47) HTTRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5757777 0.61 ALOX15 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5757566 0.61 SMN1; SMN2 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5759656 0.61 ALDH1A1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23790911 0.60

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 7 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
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-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE 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 (2 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 GABRA1 4862/4885GABRG2 4874/4885GABRB3 4831/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 GABRA1 4698/4885GABRG2 4801/4885GABRB3 4709/4885

“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.