SCHEMBL4526063

SCHEMBL4526063

O=C(Nc1ccc(-c2ccncc2)cc1)C(c1ccccc1)N1CCOCC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
TSHR P16473 2/20 0.69
ADRB2 P07550 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 1/20 0.52
CYP2C9 P11712 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
NPY2R P49146 1/20 0.48
GAA P10253 1/20 0.47
ACP1 P24666 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
PIK3CG P48736 1/20 0.47

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
SCHEMBL4520521 0.85 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2CYP3A4CYP2C19
SCHEMBL4514523 0.85 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2CYP3A4CYP2C19
SCHEMBL4520523 0.85 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2CYP3A4CYP2C19
SCHEMBL1097921 0.81 ROCK2 (0.61) ALDH1A1TSHRTDP1
SCHEMBL5378816 0.81 ALDH1A1 (0.76) ALDH1A1TSHRADRB2SMN1; SMN2CYP3A4
SCHEMBL4537056 0.81 ROCK2 (0.51) ALDH1A1TSHRSMN1; SMN2NPSR1PIK3CA
SCHEMBL4522473 0.81 ROCK2 (0.51) ALDH1A1TSHRSMN1; SMN2NPSR1PIK3CA
SCHEMBL7654548 0.78 ALDH1A1 (0.71) ALDH1A1TSHRADRB2SMN1; SMN2CYP3A4
SCHEMBL2843906 0.76 ALDH1A1 (0.65) ALDH1A1TSHRADRB2SMN1; SMN2CYP3A4
SCHEMBL3467668 0.75 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2CYP3A4CYP2C19

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 9 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
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 ALDH1A1 3985/4885TSHR 2514/4885ADRB2 3120/4885

“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.