SCHEMBL4871266

SCHEMBL4871266

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

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
KMT2A Q03164 4/20 0.44
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.39
NAMPT P43490 3/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.90 KDM4E (0.61) KDM4EKMT2ATHRBALOX12RAB9A
SCHEMBL4867326 0.86 KDM4E (0.55) KDM4EKMT2ARAB9AMAPTALDH1A1
SCHEMBL4870878 0.81 KDM4E (0.62) KDM4EKMT2AALOX12RAB9AALDH1A1
SCHEMBL4862454 0.81 KDM4E (0.68) KDM4E
SCHEMBL4867153 0.77 KDM4E (0.63) KDM4ESMN1; SMN2
SCHEMBL4863156 0.75 CYP1A2 (0.54) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL4860494 0.75 MAPT (0.48) KMT2ATHRBCA12CA1CA2
SCHEMBL4865684 0.73 PDK1 (0.56) KDM4EKMT2ATHRBCA12CA1
SCHEMBL4865006 0.72 NPC1 (0.52) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL4871894 0.72 KDM4E (0.59) KDM4E

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 2044/4885KMT2A 2577/4885THRB 1930/4885

“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.