SCHEMBL4869665

SCHEMBL4869665

Nc1ccc(NC(=O)N2CCCCc3cc(F)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 3/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
NOTUM Q6P988 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
AVPR2 P30518 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 0.89 PDK1 (0.56) HDAC1HDAC6MAPTHTR2CHTR2B
SCHEMBL4860668 0.88 TP53 (0.58) HDAC1HDAC6MAPTHTR2CHTR2B
SCHEMBL4863677 0.87 PDK1 (0.53) MAPTTHRBKMT2ATP53MEN1
SCHEMBL4870713 0.86 HTR2C (0.53) HDAC1HDAC6MAPTHTR2CHTR2B
SCHEMBL4862614 0.86 TP53 (0.63) MAPTHTR2CNOTUMTHRBKMT2A
SCHEMBL4871838 0.85 TP53 (0.58) HDAC1HDAC6MAPTHTR2CHTR2B
SCHEMBL4870827 0.84 PDK1 (0.56) MAPTTHRBKMT2ATP53MEN1
SCHEMBL4869687 0.84 PDK1 (0.53) MAPTTHRBKMT2ATP53MEN1
SCHEMBL4863111 0.84 MAPT (0.49) HDAC1HDAC6MAPTHTR2CHTR2B
SCHEMBL4872691 0.84 MAPT (0.49) HDAC1HDAC6MAPTHTR2CHTR2B

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 HDAC1 666/4885HDAC6 1324/4885MAPT 3398/4885

“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.