SCHEMBL5756549

SCHEMBL5756549

[c]1c2ccccc2cn1OCc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
SLC6A3 Q01959 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PDPK1 O15530 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NTRK1 P04629 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5754479 0.76 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5759519 0.70 NTRK1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5760538 0.68 CHRM2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5758030 0.68 NTRK1 (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13141125 0.66 MEN1 (0.48) SLC6A3SMN1; SMN2
SCHEMBL5759004 0.65 PDE10A (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL805346 0.65 RAB9A (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5761668 0.63 KDM1A (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5756551 0.63 CHRM2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5759121 0.62 RAB9A (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3

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 5 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-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

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-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 GABRA1 4874/4885GABRG2 4876/4885GABRB3 4838/4885

“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.