SCHEMBL5759992

SCHEMBL5759992

[c]1[nH]c(OCc2ncccn2)c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
SYK P43405 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 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
SCHEMBL5757074 0.84 KDM4E (0.43) ABCB1KDM4EMAPTSYKHTR1A
SCHEMBL5756551 0.78 CHRM2 (0.35)
SCHEMBL5760463 0.78 GABRA1 (0.40) KDM4ESYK
SCHEMBL5757727 0.78 KLK1 (0.32)
SCHEMBL5758718 0.74 GAA (0.42) KDM4EMAPT
SCHEMBL5754484 0.74 HPGD (0.38) KDM4E
SCHEMBL5757538 0.71 GABRP (0.33) KDM4EMAPTPRKAB2PRKAG1PRKAA2
SCHEMBL5756817 0.64 CYP3A4 (0.34) ABCB1KDM4EMAPT
SCHEMBL5757410 0.63 ABCB1 (0.33) ABCB1
SCHEMBL1221701 0.63 RAB9A (0.59)

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 5 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

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 ABCB1 72/4885KDM4E 3142/4885MAPT 2382/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 ABCB1 73/4885KDM4E 3458/4885MAPT 1916/4885

“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.