SCHEMBL4871202

SCHEMBL4871202

CCC(NC(=O)N1CCCCc2cc(F)ccc21)(C(N)=O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
NOTUM Q6P988 1/20 0.43
KCNQ2 O43526 1/20 0.43
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
LMNA P02545 3/20 0.38
CNR2 P34972 1/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36

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
SCHEMBL4870856 0.90 MEN1 (0.45) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL4868662 0.83 LMNA (0.45) LMNAPOLBMEN1KMT2AALDH1A1
SCHEMBL6677976 0.77 MEN1 (0.45) HDAC1HDAC6NOTUMLMNAPOLB
SCHEMBL4867337 0.76 LMNA (0.53) HDAC1HDAC6NOTUMPDK1PDK2
SCHEMBL4867197 0.76 AVPR2 (0.43) NOTUMLMNAPOLBMEN1KMT2A
SCHEMBL4870713 0.72 HTR2C (0.53) HDAC1HDAC6NOTUM
SCHEMBL4870206 0.72 TP53 (0.49) LMNAPOLBALDH1A1TP53AVPR2
SCHEMBL4868380 0.72 LMNA (0.54) HDAC1HDAC6NOTUMKCNQ2PDK1
SCHEMBL4871198 0.72 LMNA (0.45) HDAC1HDAC6NOTUMKCNQ2PDK1
SCHEMBL4860748 0.71 TP53 (0.55) HDAC1HDAC6LMNAMEN1KMT2A

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 HDAC1 666/4885HDAC6 1324/4885NOTUM 759/4885

“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.