SCHEMBL5757416

SCHEMBL5757416

[c]1[nH]c2ccccc2c1OCc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA1 P14867 5/20 0.39
GABRG2 P18507 5/20 0.39
GABRB3 P28472 5/20 0.39
GABRA5 P31644 5/20 0.39
GABRA3 P34903 5/20 0.39
GABRA2 P47869 5/20 0.39
MAOA P21397 1/20 0.39
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
PARP10 Q53GL7 1/20 0.38
SYK P43405 4/20 0.38
SLC6A4 P31645 1/20 0.37
AURKB Q96GD4 2/20 0.37
INCENP Q9NQS7 2/20 0.37
MAPK10 P53779 1/20 0.36

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
SCHEMBL5756581 0.84 GABRA1 (0.40) HTR2CKDM4EALDH1A1SMN1; SMN2GABRA1
SCHEMBL10626970 0.78 GABRP (0.47) SMN1; SMN2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4924573 0.74 GABRP (0.44) KDM4EALDH1A1SMN1; SMN2GABRA1GABRG2
SCHEMBL5757074 0.73 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2GABRA1GABRG2
SCHEMBL5760229 0.72 GABRA1 (0.38) HTR2CKDM4EALDH1A1SMN1; SMN2GABRA1
SCHEMBL5759834 0.70 GABRA1 (0.41) KDM4EALDH1A1SMN1; SMN2GABRA1GABRG2
SCHEMBL5758704 0.70 KDM4E (0.40) KDM4EALDH1A1SMN1; SMN2GABRA1GABRG2
SCHEMBL6239562 0.68 MAOA (0.43) HTR2CKDM4EALDH1A1SMN1; SMN2GABRA1
SCHEMBL31473925 0.68 MAOA (0.51) KDM4EALDH1A1GABRA1GABRG2GABRB3
SCHEMBL2071022 0.68 ALDH1A1 (0.39) KDM4EALDH1A1SMN1; SMN2GABRA1GABRG2

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-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 HTR2C 4527/4885KDM4E 3142/4885ALDH1A1 2961/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HTR2C 4481/4885KDM4E 3458/4885ALDH1A1 2994/4885

“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.