SCHEMBL4518077

SCHEMBL4518077

O=C(CNc1ccccc1)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 1/20 0.64
MGLL Q99685 1/20 0.57
ALDH1A1 P00352 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
ERCC1 P07992 1/20 0.56
ERCC4 Q92889 1/20 0.56
ROCK2 O75116 7/20 0.56
ROCK1 Q13464 6/20 0.56
GRK2 P25098 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
STAT3 P40763 1/20 0.51

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
Hydrochloric Acid SCHEMBL4522424 0.98 PORCN (0.63) PORCNMGLLALDH1A1RAB9ALMNA
Trifluoroacetic Acid SCHEMBL4535893 0.92 PORCN (0.57) PORCNMGLLALDH1A1RAB9ALMNA
SCHEMBL1561387 0.83 MAPT (0.70) MGLLALDH1A1RAB9ALMNAMEN1
SCHEMBL4631344 0.82 NOTUM (0.67) PORCNALDH1A1LMNAMEN1MAPT
Hydrochloric Acid SCHEMBL11858514 0.82 MAPT (0.68) MGLLALDH1A1RAB9ALMNAMEN1
SCHEMBL14605463 0.81 ROCK2 (0.67) PORCNMGLLALDH1A1LMNAMAPT
SCHEMBL403203 0.81 RAB9A (0.56) PORCNMGLLALDH1A1RAB9ALMNA
Hydrochloric Acid SCHEMBL15778253 0.80 ROCK2 (0.49) PORCNROCK2ROCK1GRK2SMN1; SMN2
SCHEMBL4630900 0.80 NOTUM (0.48) PORCNALDH1A1ROCK2ROCK1SMN1; SMN2
SCHEMBL31262909 0.79 ERCC1 (0.69) PORCNMGLLALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA PORCN 4455/4885MGLL 2662/4885ALDH1A1 3985/4885

“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.