SCHEMBL5758441

SCHEMBL5758441

[c]1occc1OCc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
PARP10 Q53GL7 1/20 0.41
SYK P43405 8/20 0.40
AURKB Q96GD4 3/20 0.39
INCENP Q9NQS7 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH1 P35367 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
LIN28A Q9H9Z2 1/20 0.37

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
SCHEMBL5761595 0.79 GABRA1 (0.34) SYKCYP1A2CYP3A4CYP2C9
SCHEMBL3515049 0.72 SMN1; SMN2 (0.45) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL5759760 0.72 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL5760956 0.71 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL13415831 0.70
SCHEMBL4118745 0.70
SCHEMBL5758509 0.70 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL5759560 0.70 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL493397 0.69 HRH1 (0.52) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL5756973 0.69 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A

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 11 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
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 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-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 EP 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 (4 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 SMN1; SMN2 3890/4885KDM4E 3142/4885ALDH1A1 2961/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 SMN1; SMN2 3804/4885KDM4E 3458/4885ALDH1A1 2994/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 SMN1; SMN2 2083/4885KDM4E 2569/4885ALDH1A1 1443/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 SMN1; SMN2 3318/4885KDM4E 3877/4885ALDH1A1 2265/4885

“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.