SCHEMBL4860494

SCHEMBL4860494

O=C(Nc1ccc(O)cc1)N1CCCCc2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
THRB P10828 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL4865684 0.90 PDK1 (0.56) MAPTPOLBKMT2ATP53CA12
SCHEMBL4868800 0.90 MAPT (0.52) MAPTPOLBKMT2ATP53MEN1
SCHEMBL4862919 0.89 TP53 (0.58) MAPTPOLBKMT2ATP53MEN1
SCHEMBL4863201 0.85 POLB (0.58) MAPTPOLBKMT2ATP53MEN1
SCHEMBL4867584 0.85 BRD4 (0.52) MAPTPOLBKMT2ATP53MEN1
SCHEMBL4869687 0.85 PDK1 (0.53) MAPTPOLBKMT2ATP53CA12
SCHEMBL4871323 0.83 HDAC1 (0.48) MAPTKMT2ATP53MEN1ALDH1A1
SCHEMBL4862236 0.83 MAPT (0.64) MAPTPOLBTP53ALDH1A1MAPK1
SCHEMBL4868920 0.83 TP53 (0.53) MAPTPOLBKMT2ATP53MEN1
SCHEMBL4870796 0.82 TP53 (0.59) MAPTPOLBKMT2ATP53MEN1

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 4 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 claimed
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 MAPT 3398/4885POLB 2390/4885KMT2A 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.