SCHEMBL4867648

SCHEMBL4867648

Cc1cc(O)ccc1NC(=O)N1CCCCc2cc(O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
PDK1 Q15118 2/20 0.47
PDK2 Q15119 2/20 0.47
PDK3 Q15120 2/20 0.47
PDK4 Q16654 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 1/20 0.44
AVPR2 P30518 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL4870691 0.91 PDK1 (0.58) TP53LMNAPDK1PDK2PDK3
SCHEMBL4868252 0.91 MEN1 (0.57) TP53LMNAKDM4ENPC1RAB9A
SCHEMBL4869458 0.86 CHRM2 (0.50) LMNAPDK1PDK2PDK3PDK4
SCHEMBL4870695 0.85 MAPT (0.52) TP53LMNAPDK1PDK2PDK3
SCHEMBL4866075 0.82 TP53 (0.59) TP53LMNANPC1RAB9AMEN1
SCHEMBL4860681 0.82 MAPT (0.53) TP53LMNAPDK1PDK2PDK3
SCHEMBL4869687 0.81 PDK1 (0.53) TP53LMNAPDK1PDK2PDK3
SCHEMBL4863677 0.81 PDK1 (0.53) TP53LMNAPDK1PDK2PDK3
SCHEMBL4867152 0.81 TP53 (0.64) TP53LMNAPDK1PDK2PDK3
SCHEMBL4871226 0.79 CHRM2 (0.61) LMNAMEN1KMT2AALDH1A1MAPT

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 TP53 4170/4885LMNA 2162/4885PDK1 2625/4885

“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.