SCHEMBL659884

SCHEMBL659884

Cc1cc(OCc2nccn2C)c2cccc(O)c2n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.45
KDM4E B2RXH2 2/20 0.43
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
RET P07949 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KRAS P01116 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
SCHEMBL6965159 0.77 SYK (0.47) BDKRB2KDM4EMAPTSMN1; SMN2
SCHEMBL6643616 0.77 KDM4E (0.52) KDM4EMAPTSMN1; SMN2OPRK1MEN1
SCHEMBL660406 0.77 KDM4E (0.43) BDKRB2KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL1564088 0.75 BDKRB2 (0.55) BDKRB2KDM4EMAPT
SCHEMBL6639297 0.75 KDM4E (0.50) KDM4EMAPTSMN1; SMN2OPRK1MEN1
SCHEMBL660152 0.74 KDM4E (0.44) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6643288 0.74 KDM4E (0.49) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7748595 0.73 ABCB1 (0.44) KDM4EMAPTSMN1; SMN2
SCHEMBL6643141 0.73 KDM4E (0.48) KDM4EMAPTSMN1; SMN2OPRK1MEN1
SCHEMBL659122 0.73 KDM4E (0.76) KDM4EMAPTSMN1; SMN2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-11-08 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
WO-2012024419-A2 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ALCON RESEARCH, LTD. (US) 2012-02-23 WO disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120283260-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR BDKRB2 1/4885KDM4E 3092/4885GABRA1 194/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR BDKRB2 1/4885KDM4E 3092/4885GABRA1 194/4885

“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.