SCHEMBL5794635

SCHEMBL5794635

OCC(Cc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.42
EPHX1 P07099 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 3/20 0.40
RPS6KA5 O75582 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKACA P17612 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
PRKX P51817 1/20 0.40
PRKG1 Q13976 1/20 0.40

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
SCHEMBL7479981 0.87 KCNN4 (0.43) MAPK1CYP3A4KDM4EKMT2AMEN1
SCHEMBL10245188 0.80 MAPK1 (0.53) MAPK1CYP3A4KDM4EKMT2AMEN1
SCHEMBL8254401 0.80 MAPK1 (0.53) MAPK1CYP3A4KDM4EKMT2AMEN1
SCHEMBL569600 0.80 KIF11 (0.44) MAPK1CYP3A4KDM4ELMNA
SCHEMBL14559281 0.80 KIF11 (0.44) MAPK1CYP3A4KDM4ELMNA
SCHEMBL3302429 0.80 KCNN4 (0.47) KDM4EKMT2AMEN1MAPTTRPA1
SCHEMBL2490293 0.80 KCNN4 (0.38) MAPK1CYP3A4KDM4EKMT2AMEN1
SCHEMBL3302423 0.80 KCNN4 (0.47) KDM4EKMT2AMEN1MAPTTRPA1
SCHEMBL569601 0.80 KIF11 (0.44) MAPK1CYP3A4KDM4ELMNA
SCHEMBL7745276 0.80 MAPK1 (0.53) MAPK1CYP3A4KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them MENARINI RICERCHE S.P.A. (IT) 2006-10-05 US disclosed
EP-1620432-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM Menarini Ricerche S.p.A. (IT) 2006-02-01 EP disclosed
WO-2004094412-A1 NK-2 ANTAGONIST BASIC LINEAR COMPOUNDS AND FORMULATIONS CONTAINING THEM MENARINI RICERCHE S.P.A. (IT) 2004-11-04 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-20060223814-A1 Nk-2 antagonist basic linear compounds and formulations containing them BDKRB2, KLK2, BDKRB1 MAPK1 1428/4885CYP3A4 1308/4885KDM4E 2069/4885

“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.