SCHEMBL3549648

SCHEMBL3549648

COc1ccc(CCNC(C)=O)cc1N

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
PTGS1 P23219 1/20 0.55
BLM P54132 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.54

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
Hydrochloric Acid SCHEMBL1876141 0.99 SMN1; SMN2 (0.57) SMN1; SMN2MTNR1AMTNR1BCA12CA1
SCHEMBL2224069 0.86 CA12 (0.73) SMN1; SMN2MTNR1AMTNR1BCA12CA1
Water SCHEMBL11279885 0.85 CA12 (0.71) SMN1; SMN2MTNR1AMTNR1BCA12CA1
SCHEMBL19190038 0.85 ALDH1A1 (0.58) ALDH1A1LMNAKMT2AGAA
SCHEMBL5723908 0.84 KDM4E (0.69) SMN1; SMN2MTNR1AMTNR1BCA12CA1
SCHEMBL27407324 0.83 CA1 (0.51) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL5913864 0.83 CA12 (0.51) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL3996984 0.82 SMN1; SMN2 (0.59) SMN1; SMN2MTNR1AMTNR1BCA12CA1
SCHEMBL5723848 0.81 MTNR1A (0.84) SMN1; SMN2MTNR1AMTNR1BMAPTKDM4E
SCHEMBL12392825 0.80 KDM4E (0.59) SMN1; SMN2MTNR1AMTNR1BMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207860-A1 Inkjet Ink Compositions Comprising Polymeric Dispersants Having Attached Chromophore Groups CABOT CORPORATION (US) 2011-08-25 US disclosed
US-7947761-B2 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION (US) 2011-05-24 US disclosed
US-7947761-B2 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION (US) 2011-05-24 US disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
WO-2007089859-A1 INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS CABOT CORPORATION (US) 2007-08-09 WO disclosed
US-20070179213-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179214-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179215-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179213-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179214-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179215-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 SMN1; SMN2 1059/4885MTNR1A 1124/4885MTNR1B 338/4885

“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.