SCHEMBL5843890

SCHEMBL5843890

O=C(Nc1cc[c]cc1)C1=COC(Cc2ccccc2)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
ADRB2 P07550 1/20 0.35
TP53 P04637 1/20 0.35
GFER P55789 1/20 0.35
FAAH O00519 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
EPHX2 P34913 1/20 0.34
SGMS2 Q8NHU3 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6814625 0.82 NAMPT (0.42) RAB9AKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL133894 0.80 MEN1 (0.36) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL230546 0.76 CTRB1 (0.36)
SCHEMBL388934 0.74 ALDH1A1 (0.36) ALDH1A1LMNA
SCHEMBL5004808 0.74 PLA2G10 (0.39) KMT2AALDH1A1MAPTLMNARECQL
SCHEMBL3712470 0.73 TSHR (0.40) RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL4258317 0.72 CTRB1 (0.33)
SCHEMBL5742539 0.72 PTPN1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2272547 0.71 ACLY (0.40) RAB9AALDH1A1NPC1HPGD
SCHEMBL2267869 0.70 CYP2C9 (0.45) KMT2ASMN1; SMN2MAPTGFER

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-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
US-7067549-B2 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2006-06-27 US disclosed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US disclosed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP disclosed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 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-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R RAB9A 3133/4885KMT2A 3347/4885MEN1 3619/4885

“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.