SCHEMBL4534913

SCHEMBL4534913

O=C(Nc1ccc(-c2ccncc2)cc1)N1CCC2CCCCC2C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 2/20 0.47
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
PTPN1 P18031 1/20 0.45
GPR142 Q7Z601 4/20 0.44
TRPV1 Q8NER1 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
STAT1 P42224 1/20 0.43
F13A1 P00488 1/20 0.43
TGM2 P21980 1/20 0.43
TGM1 P22735 1/20 0.43

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
SCHEMBL1677776 0.73 NAMPT (0.44) NAMPT
SCHEMBL18079544 0.73 HDAC2 (0.55) TP53
SCHEMBL13739161 0.73 HDAC2 (0.70)
SCHEMBL27723722 0.71 MAPK13 (0.53)
SCHEMBL9466671 0.70 MAPT (0.65) NPC1RAB9ASMN1; SMN2MAPTTGM2
SCHEMBL22668561 0.70 ADCY1 (0.51) NPC1RAB9ALMNA
SCHEMBL13595574 0.70 KDM4E (0.58) NAMPTTRPV1
SCHEMBL16569138 0.70 RAB9A (0.65) NPC1RAB9ASMN1; SMN2TRPV1TGM2
SCHEMBL4526775 0.69 RAB9A (0.71) NAMPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14147225 0.69 TSHR (0.55) NAMPTSMN1; SMN2LMNATRPV1

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 NAMPT 1049/4885NPC1 1693/4885RAB9A 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.