SCHEMBL4860668

SCHEMBL4860668

O=C(Nc1ccccc1)N1CCCCc2cc(F)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.58
NPC1 O15118 1/20 0.58
PKM P14618 1/20 0.58
NFKB1 P19838 1/20 0.58
RAB9A P51151 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 1/20 0.52
DGAT1 O75907 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.50

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
SCHEMBL4862919 0.90 TP53 (0.58) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4865684 0.89 PDK1 (0.56) TP53ALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL4869665 0.88 HDAC1 (0.49) TP53ALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL4863029 0.86 TP53 (0.53) TP53ALDH1A1MEN1KMT2ALMNA
SCHEMBL4866075 0.86 TP53 (0.59) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4870713 0.86 HTR2C (0.53) MAPTHDAC1HDAC6HTR2CHTR2A
SCHEMBL4870805 0.85 HTR2A (0.63) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4867239 0.85 HTR2A (0.63) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4869045 0.85 TP53 (0.58) TP53NPC1PKMNFKB1RAB9A
SCHEMBL4871838 0.85 TP53 (0.58) TP53ALDH1A1MAPK1L3MBTL1MEN1

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 4170/4885NPC1 630/4885PKM 1634/4885

“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.