SCHEMBL669119

SCHEMBL669119

Oc1ccc2cc[c]nc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
METAP2 P50579 1/20 0.32
NQO2 P16083 2/20 0.32
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL68795 0.76 CCR1 (0.39)
SCHEMBL144188 0.72 METAP2 (0.52) METAP2
SCHEMBL1617143 0.72 METAP2 (0.57) POLBMETAP2
SCHEMBL31215972 0.68 POLB (0.45) POLBESR1ESR2METAP2NQO2
SCHEMBL4075837 0.68 POLB (0.41) POLBESR1ESR2METAP2NQO2
SCHEMBL10476670 0.68 BACE1 (0.47) METAP2
SCHEMBL580188 0.67 MMP2 (0.59) POLBMETAP2
SCHEMBL14478402 0.65 CCR1 (0.63) POLBESR1ESR2NQO2HSD17B1
SCHEMBL23895465 0.64 CCR1 (0.41) POLBESR1ESR2NQO2
SCHEMBL16284364 0.64 PARP1 (0.45) POLBESR1ESR2METAP2NQO2

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
WO-2012024558-A2 LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-02-23 WO claimed
US-20110178281-A1 Photocleavable Linker Methods and Compositions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-07-21 US claimed
US-7923562-B2 Photocleavable linker methods and compositions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-04-12 US claimed
US-20100022761-A1 PHOTOCLEAVABLE LINKER METHODS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-28 US claimed
WO-2012024558-A2 LIGHT MEDIATED REGULATION OF PROTEIN DIMERIZATION THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-02-23 WO disclosed
US-20110178281-A1 Photocleavable Linker Methods and Compositions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2011-07-21 US disclosed
US-7923562-B2 Photocleavable linker methods and compositions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-04-12 US disclosed
US-20100022761-A1 PHOTOCLEAVABLE LINKER METHODS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-28 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-20110178281-A1 Photocleavable Linker Methods and Compositions NSUN2, RNGTT, METTL16 POLB 388/4885ESR1 1832/4885ESR2 3046/4885
US-20100022761-A1 PHOTOCLEAVABLE LINKER METHODS AND COMPOSITIONS NSUN2, RNGTT, METTL16 POLB 388/4885ESR1 1832/4885ESR2 3046/4885

“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.