SCHEMBL1987646

SCHEMBL1987646

CN(CCOc1cc(Br)ccc1N)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
CCR5 P51681 1/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
ATM Q13315 1/20 0.44
IKBKB O14920 1/20 0.44
HTR6 P50406 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL3665876 0.94 LMNA (0.49) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL1985494 0.86 LMNA (0.41) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL1988447 0.80 ROCK2 (0.55) LMNAHTR1BGAAKDM4E
SCHEMBL1992407 0.79 LMNA (0.49) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL3888894 0.77 LMNA (0.86) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL2053847 0.77 KDM4E (0.57) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL3714084 0.77 ROCK2 (0.71) LMNAHTR1DHTR1BTSHR
SCHEMBL1584529 0.75 SLC6A4 (0.54) SMN1; SMN2CCR5MAOB
SCHEMBL3665879 0.74 LMNA (0.46) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL17682060 0.72 TSHR (0.81) HTR1DHTR1BTSHRKDM4ECARM1

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.