SCHEMBL4860748

SCHEMBL4860748

O=C(NCc1ccccc1)N1CCCCc2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 8/20 0.48
AVPR2 P30518 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 3/20 0.47

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
SCHEMBL4867337 0.94 LMNA (0.53) TP53MEN1NPC1KMT2AMAPT
SCHEMBL4870759 0.91 PDK1 (0.51) TP53NPC1MAPTLMNASMN1; SMN2
SCHEMBL4871341 0.91 PDK1 (0.54) TP53MEN1NPC1KMT2AMAPT
SCHEMBL4871029 0.91 TP53 (0.55) TP53MEN1NPC1KMT2AMAPT
SCHEMBL4871152 0.87 TP53 (0.56) TP53MAPTALDH1A1TSHRLMNA
SCHEMBL4869441 0.87 TP53 (0.61) TP53MEN1NPC1KMT2AMAPT
SCHEMBL4869012 0.87 PDK1 (0.55) TP53MEN1NPC1KMT2AMAPT
SCHEMBL4871155 0.86 PDK1 (0.51) TP53MEN1NPC1KMT2AMAPT
SCHEMBL4865168 0.85 TP53 (0.71) TP53MAPTLMNAAVPR2SMN1; SMN2
SCHEMBL4865602 0.85 CHRM2 (0.62) TP53MEN1KMT2ALMNAAVPR2

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 TP53 4170/4885MEN1 651/4885NPC1 630/4885

“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.