SCHEMBL4862236

SCHEMBL4862236

COc1ccc2c(c1)N(C(=O)Nc1ccc(O)cc1)CCCC2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
MAOB P27338 1/20 0.57
RAB9A P51151 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
THRB P10828 1/20 0.56
ROCK1 Q13464 1/20 0.52
POLB P06746 1/20 0.48

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
SCHEMBL4869965 0.91 MAPT (0.64) MAPTL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL4868800 0.88 MAPT (0.52) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL4863201 0.86 POLB (0.58) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL4871248 0.85 MAPT (0.61) MAPTL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL4860494 0.83 MAPT (0.48) MAPTL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL4867584 0.83 BRD4 (0.52) MAPTLMNATP53SMN1; SMN2NPC1
SCHEMBL19675231 0.82 NPC1 (0.67) MAPTL3MBTL1ALDH1A1MAPK1TP53
SCHEMBL4870033 0.82 MAPT (0.93) MAPTL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL4863193 0.81 MAPT (0.64) MAPTL3MBTL1ALDH1A1MAPK1LMNA
SCHEMBL19675184 0.81 NPC1 (0.66) MAPTL3MBTL1ALDH1A1MAPK1LMNA

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 MAPT 3398/4885L3MBTL1 4626/4885ALDH1A1 3990/4885

“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.