SCHEMBL1987144

SCHEMBL1987144

Nc1[nH]ncc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.57
LMNA P02545 4/20 0.56
ILK Q13418 1/20 0.54
MAPT P10636 6/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NOS1 P29475 2/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.45
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 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
SCHEMBL24209382 0.81 LMNA (0.56) LMNAILKMAPTCYP3A4CYP1A2
SCHEMBL3472474 0.73 LMNA (0.66) LMNAILKMAPTTDP1GAA
SCHEMBL1245491 0.73 LMNA (0.66) LMNAMAPTMEN1KMT2ACYP3A4
SCHEMBL15020489 0.73 MAPT (0.66) LMNAMAPTTDP1ALDH1A1GAA
SCHEMBL1248084 0.73 LMNA (0.66) LMNAMAPTMEN1KMT2ACYP3A4
SCHEMBL24209378 0.71 MEN1 (0.54) GYS1LMNAMAPTMEN1KMT2A
SCHEMBL16534777 0.71 LMNA (0.68) LMNAMAPTTDP1GAAKDM4E
SCHEMBL12562311 0.70 TDO2 (0.57) GYS1LMNAMAPTMEN1KMT2A
SCHEMBL10561731 0.70 GYS1 (0.47) GYS1LMNAMAPTMEN1KMT2A
SCHEMBL24630701 0.69 MAPT (0.60) LMNAMAPTKMT2ATDP1ALDH1A1

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 5 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
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
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 GYS1 123/4885LMNA 2482/4885ILK 1334/4885

“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.