SCHEMBL5761994

SCHEMBL5761994

[c]1nc2ccccc2n1OCc1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
ALDH1A1 P00352 5/20 0.40
USP2 O75604 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.38
HTT P42858 2/20 0.36
TRPC4 Q9UBN4 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
GAA P10253 3/20 0.35
STAT3 P40763 1/20 0.35
HPGD P15428 2/20 0.33
TP53 P04637 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KMT2A Q03164 3/20 0.33

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
SCHEMBL5757130 0.78 CYP2D6 (0.33) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL8450128 0.75 TSHR (0.49) ALDH1A1USP2SMN1; SMN2KDM4EHSD17B10
SCHEMBL5757777 0.74 ALOX15 (0.40) ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR
SCHEMBL10832864 0.73 SLC9A1 (0.37) ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR
SCHEMBL29225063 0.72 TSHR (0.63) ADORA3ALDH1A1USP2SMN1; SMN2KDM4E
SCHEMBL5760919 0.72 ALDH1A1 (0.36) ADORA3ALDH1A1USP2SMN1; SMN2KDM4E
SCHEMBL5759414 0.72 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPK1
SCHEMBL909189 0.70 TSHR (0.31) TSHRMAPK1ATM
SCHEMBL5757427 0.69 GABRA1 (0.36) ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR
SCHEMBL5759004 0.69 PDE10A (0.33) SMN1; SMN2TSHRADORA2AADORA2BRAB9A

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 9 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
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
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 ADORA3 3702/4885ALDH1A1 2961/4885USP2 1453/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 ADORA3 3186/4885ALDH1A1 2994/4885USP2 834/4885

“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.