SCHEMBL14246787

SCHEMBL14246787

O=C(O)C1CCCCN1C(=O)Oc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ UCHL1 P09936 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ CPT2 P23786 1/20 0.38
▸ CPT1A P50416 1/20 0.38
▸ GYS1 P13807 1/20 0.37
▸ LTA4H P09960 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGB1 P05556 1/20 0.37

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
SCHEMBL30762653 0.78 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRUCHL1L3MBTL1
SCHEMBL5690458 0.78 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRUCHL1L3MBTL1
SCHEMBL28510227 0.75 PREP (0.48) SMN1; SMN2ALDH1A1TSHRUCHL1CHRM2
SCHEMBL29074159 0.75 PREP (0.48) SMN1; SMN2ALDH1A1TSHRUCHL1CHRM2
SCHEMBL30616301 0.73 RAB9A (0.49) SMN1; SMN2ALDH1A1MAPK1KDM4ENPSR1
SCHEMBL7112033 0.73 PNMT (0.42) SMN1; SMN2ALDH1A1
SCHEMBL7112036 0.73 PNMT (0.42) SMN1; SMN2ALDH1A1
SCHEMBL8840922 0.72 RAB9A (0.54) SMN1; SMN2ALDH1A1MAPK1KDM4ENPSR1
SCHEMBL7022249 0.72 TP53 (0.42) SMN1; SMN2ALDH1A1KDM4EL3MBTL1POLB
SCHEMBL2747664 0.71 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1MAPK1KDM4EL3MBTL1

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-20160333054-A1 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS NIH - DEITR 2016-11-17 — — US disclosed
US-9260484-B2 Small molecule composite surfaces as inhibitors of protein-protein interactions OHIO STATE INNOVATION FOUNDATION (US) 2016-02-16 — — US disclosed
US-20140200186-A1 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS NIH - DEITR 2014-07-17 — — US disclosed
WO-2012174489-A2 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS THE OHIO STATE UNIVERSITY (US) 2012-12-20 — — WO 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 (2 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-20140200186-A1 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS PAIP1, ECPAS, AIP SMN1; SMN2 4461/4885ALDH1A1 4768/4885MAPK1 2632/4885
US-20160333054-A1 SMALL MOLECULE COMPOSITE SURFACES AS INHIBITORS OF PROTEIN-PROTEIN INTERACTIONS PAIP1, ECPAS, AIP SMN1; SMN2 4461/4885ALDH1A1 4768/4885MAPK1 2632/4885

“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.

Send feedback