SCHEMBL2851679

SCHEMBL2851679

CCCCCCCCNC(=O)n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
ASAH1 Q13510 2/20 0.46
EPHX1 P07099 5/20 0.46
NAMPT P43490 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TBXAS1 P24557 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
SCHEMBL10057549 1.00 NAAA (0.48) NAAAASAH1EPHX1NAMPTKDM4E
SCHEMBL7557165 1.00 NAAA (0.48) NAAAASAH1EPHX1NAMPTKDM4E
SCHEMBL30880341 0.98 NAAA (0.45) NAAAASAH1EPHX1NAMPTKDM4E
SCHEMBL4256419 0.94 QPCT (0.43) NAAAASAH1EPHX1MAPK1HTT
SCHEMBL7553681 0.92 EPHX2 (0.47)
SCHEMBL22494115 0.92 EPHX2 (0.47)
SCHEMBL5257422 0.87 QPCT (0.45) NAMPTMAPK1SMN1; SMN2
SCHEMBL15212788 0.85 TSHR (0.39) KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL10421135 0.84 PAOX (0.43)
SCHEMBL20531021 0.83 GAA (0.36) ASAH1MAPK1HTTSMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100129515-A1 FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-27 US disclosed
EP-1915063-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES Quest International Services B.V. (NL) 2008-04-30 EP disclosed
WO-2007013811-A2 N-VANILLYL UREA DERIVATIVES AS FLAVOUR MODULATING SUBSTANCES QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-02-01 WO disclosed
EP-1222916-A2 Use of amino-alcohol derivatives containing a urea function as moisturiser in cosmetic or dermatological compositions L'OREAL (FR) 2002-07-17 EP disclosed
EP-0815829-B1 Use of amino-alcohol derivatives containing an urea function in cosmetic and dermatologic compositions OREAL (FR) 2002-07-03 EP disclosed
US-6335024-B2 MOISTURIZER FOR SKIN AND HAIR L'OREAL (FR) 2002-01-01 US disclosed
US-20010007675-A1 Cosmetic and dermatological compositions containing aminoalchohol derivatives containing a urea functional group and uses thereof L'OREAL 2001-07-12 US disclosed
US-6093412-A MOISTURIZING THE SKIN OR CONDITIONING THE HAIR L'OREAL (FR) 2000-07-25 US disclosed
US-6010707-A MOISTURIZING AGENT L'OREAL (FR) 2000-01-04 US disclosed
EP-0815829-A1 Use of amino-alcohol derivatives containing an urea function in cosmetic and dermatologic compositions L'OREAL (FR) 1998-01-07 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-20010007675-A1 Cosmetic and dermatological compositions containing aminoalchohol derivatives containing a urea functional group and uses thereof HRH3, BCAT1, CUTA NAAA 690/4885ASAH1 183/4885EPHX1 2606/4885

“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.