SCHEMBL5759519

SCHEMBL5759519

[c]1cc2ccccc2n1OCc1nccs1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
NMT1 P30419 1/20 0.33
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
SLC6A3 Q01959 1/20 0.33
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE10A Q9Y233 2/20 0.32
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
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
SCHEMBL5760227 0.76 SMN1; SMN2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5759004 0.76 PDE10A (0.33) NTRK1CHRM2CHRM1CHRM3GABRA1
SCHEMBL10626967 0.73 TSHR (0.41) SLC6A3
SCHEMBL5761635 0.73 NTRK1 (0.33) NTRK1
SCHEMBL4171655 0.73 LMNA (0.37) SMN1; SMN2RAB9A
SCHEMBL5756549 0.70 GABRA1 (0.35) NTRK1CHRM2CHRM1CHRM3GABRA1
SCHEMBL5547501 0.68 HSD17B10 (0.40) PDE10ARAB9A
SCHEMBL4921048 0.67 MEN1 (0.32) SMN1; SMN2
SCHEMBL13141125 0.66 MEN1 (0.48) SLC6A3SMN1; SMN2
SCHEMBL4912232 0.65 TDP1 (0.41) SMN1; SMN2

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
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
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 NTRK1 4617/4885CHRM2 4559/4885CHRM1 4444/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 NTRK1 4314/4885CHRM2 3105/4885CHRM1 3207/4885

“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.