SCHEMBL4530255

SCHEMBL4530255

Nc1nccc(-c2ccc3c(c2)CCN3C(=O)[C@@H](N)c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.46
GFER P55789 1/20 0.46
RIPK1 Q13546 2/20 0.46
CYP11B1 P15538 5/20 0.44
CDC7 O00311 2/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 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
SCHEMBL4528719 1.00 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4530584 0.85 EIF2AK3 (0.47) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4525189 0.85 EIF2AK3 (0.47) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4525367 0.83 NPC1 (0.45) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4524225 0.83 NPC1 (0.45) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4520686 0.81 CYP11B1 (0.56) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4510983 0.81 CYP11B1 (0.46) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4533143 0.79 PDK1 (0.47) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4662736 0.78 MAPT (0.46) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4520355 0.77 MAPT (0.45) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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 7 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
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 NPC1 1693/4885MAPT 236/4885RAB9A 174/4885

“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.