SCHEMBL5757239

SCHEMBL5757239

[c]1nc2ccccc2cc1OCc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.40
HRH4 Q9H3N8 1/20 0.40
PDE10A Q9Y233 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HBB P68871 1/20 0.39
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AURKB Q96GD4 2/20 0.38
INCENP Q9NQS7 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL5761455 0.86 HTT (0.38) PDE10ASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL5757173 0.85 IDO1 (0.36) SYKPDE10ASMN1; SMN2HTTCYP1A2
SCHEMBL1758450 0.80 TLR8 (0.49) PDE10ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL5759121 0.76 RAB9A (0.35) PDE10ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL5759403 0.76 HTT (0.33) SMN1; SMN2ALDH1A1HPGDMAPTHTT
SCHEMBL5758357 0.74 GAA (0.40) SMN1; SMN2KDM4EALDH1A1MAPTALOX15
SCHEMBL5757132 0.74 TSHR (0.37) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL4920374 0.74 TLR8 (0.51) PDE10ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4919733 0.73 TLR8 (0.52) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL252593 0.71 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1HPGDMAPT

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 8 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-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 US disclosed
EP-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 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

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 SYK 4127/4885HRH4 1518/4885PDE10A 4504/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 SYK 4166/4885HRH4 972/4885PDE10A 4335/4885

“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.