SCHEMBL5757777

SCHEMBL5757777

[c]1nc2ccccc2n1OCc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
KDM4E B2RXH2 6/20 0.40
TSHR P16473 5/20 0.40
RAB9A P51151 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 5/20 0.37
NPC1 O15118 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
RCE1 Q9Y256 1/20 0.33
CFTR P13569 1/20 0.33
PYGM P11217 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL5759004 0.78 PDE10A (0.33) SMN1; SMN2TSHRRAB9AGABRA1GABRG2
SCHEMBL5761994 0.74 ADORA3 (0.40) SMN1; SMN2KDM4ETSHRRAB9AHSD17B10
SCHEMBL10832864 0.73 SLC9A1 (0.37) SMN1; SMN2KDM4ETSHRRAB9AHSD17B10
SCHEMBL5760227 0.72 SMN1; SMN2 (0.35) ALOX15SMN1; SMN2KDM4ETSHRRAB9A
SCHEMBL5759414 0.72 ALDH1A1 (0.42) SMN1; SMN2KDM4ERAB9AHSD17B10MAPT
SCHEMBL5757130 0.72 CYP2D6 (0.33) KDM4ETSHRRAB9AHSD17B10HPGD
SCHEMBL909189 0.70 TSHR (0.31) TSHRPOLB
SCHEMBL5757427 0.69 GABRA1 (0.36) SMN1; SMN2KDM4ETSHRHSD17B10ALDH1A1
SCHEMBL9372396 0.69 SLC9A1 (0.40) SMN1; SMN2KDM4ETSHRRAB9AHPGD
SCHEMBL557928 0.68 SMN1; SMN2 (0.36) SMN1; SMN2KDM4ERAB9AHSD17B10HPGD

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 10 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-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 (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 ALOX15 3597/4885SMN1; SMN2 3890/4885KDM4E 3142/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 ALOX15 3755/4885SMN1; SMN2 3804/4885KDM4E 3458/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 ALOX15 3075/4885SMN1; SMN2 3318/4885KDM4E 3877/4885

“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.