SCHEMBL1992407

SCHEMBL1992407

CN(CCOc1cc(Br)ccc1[N+](=O)[O-])Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL1987035 0.82 KDM4E (0.54) LMNAGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL18585107 0.81 CYP11B1 (0.64) ALDH1A1KDM4ECYP11B1CYP11B2MAPT
SCHEMBL1987646 0.79 LMNA (0.54) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL29751809 0.79 POLB (0.48) SMN1; SMN2ALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL1583614 0.79 POLB (0.48) SMN1; SMN2ALDH1A1CYP11B1CYP11B2MAPT
SCHEMBL18034614 0.78 NPC1 (0.50) LMNASMN1; SMN2ALDH1A1KDM4ECYP11B1
SCHEMBL16935311 0.77 NPC1 (0.55) LMNASMN1; SMN2ALDH1A1KDM4ECYP11B1
SCHEMBL3665876 0.74 LMNA (0.49) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL15508187 0.74 NPC1 (0.50) LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL29151899 0.74 MAPT (0.52) LMNASMN1; SMN2MAPT

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 LMNA 2482/4885HTR1D 3432/4885HTR1B 3948/4885

“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.