SCHEMBL4867326

SCHEMBL4867326

O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCCC(c2ccc(F)cc2)c2ccc(F)cc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
F10 P00742 2/20 0.45
LTA4H P09960 1/20 0.44
FAAH O00519 2/20 0.44
PRKAA2 P54646 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL4865634 0.89 KDM4E (0.61) KDM4EKMT2AALDH1A1RAB9A
SCHEMBL4871266 0.86 KDM4E (0.58) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4868920 0.81 TP53 (0.53) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL4863029 0.79 TP53 (0.53) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL4863814 0.77 PDK1 (0.56) MEN1KMT2AALDH1A1RECQLMAPT
SCHEMBL4870878 0.76 KDM4E (0.62) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL4863156 0.75 CYP1A2 (0.54) KDM4EMEN1KMT2AALDH1A1RECQL
SCHEMBL4862454 0.74 KDM4E (0.68) KDM4E
SCHEMBL4871314 0.74 FAAH (0.51) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL4865006 0.73 NPC1 (0.52) KDM4EMEN1KMT2AMAPTRAB9A

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 KDM4E 2044/4885MEN1 651/4885KMT2A 2577/4885

“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.