SCHEMBL1987965

SCHEMBL1987965

CN(C)C(=O)COc1cc(Br)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 3/20 0.48
POLB P06746 3/20 0.45
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.42
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GLA P06280 1/20 0.40
ESR1 P03372 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40

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
SCHEMBL2368605 0.83 ALDH1A1 (0.47) MEN1KMT2ATSHRPOLBNPSR1
SCHEMBL31681587 0.82 POLB (0.54) MEN1KMT2ATSHRPOLBNPSR1
SCHEMBL15796076 0.80 ALDH1A1 (0.57) MEN1KMT2ATSHRPOLBNPSR1
SCHEMBL31681530 0.78 MEN1 (0.48) MEN1KMT2ATSHRPOLBNPSR1
SCHEMBL30986385 0.78 ALDH1A1 (0.42) MEN1KMT2ATSHRPOLBNPSR1
SCHEMBL1990199 0.77 MAPK1 (0.46) MEN1KMT2ATSHRNPSR1LMNA
SCHEMBL3856079 0.77 ALDH1A1 (0.66) MEN1KMT2ATSHRPOLBLMNA
SCHEMBL31681594 0.77 PTGDR2 (0.69) MEN1KMT2ATSHRPOLBNPSR1
SCHEMBL3315538 0.75 POLB (0.52) TSHRPOLBALDH1A1KDM4EHPGD
SCHEMBL7343296 0.74 SMN1; SMN2 (0.53) MEN1KMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 US disclosed
EP-2234618-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 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 (1 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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 MEN1 2576/4885KMT2A 4576/4885TSHR 4723/4885

“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.