SCHEMBL5760145

SCHEMBL5760145

[c]1sc2ccccc2c1OCc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
GABRA2 P47869 2/20 0.40
HRH1 P35367 1/20 0.39
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GBA1 P04062 1/20 0.31
VNN1 O95497 1/20 0.31
SYK P43405 2/20 0.31
CYP1B1 Q16678 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL5758704 0.84 KDM4E (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5758421 0.78 KDM4E (0.31) RAB9ASMN1; SMN2KDM4E
SCHEMBL5758067 0.73 KDM1A (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5761882 0.72 CYP1B1 (0.30) CYP1B1
SCHEMBL5760006 0.72 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5756581 0.72 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5758101 0.71 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5761594 0.69 GAA (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5757369 0.68 SYK (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5758182 0.67 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3

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-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
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 GABRA1 4862/4885GABRG2 4874/4885GABRB3 4831/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 GABRA1 4874/4885GABRG2 4876/4885GABRB3 4838/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 GABRA1 4698/4885GABRG2 4801/4885GABRB3 4709/4885

“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.