SCHEMBL17956972

SCHEMBL17956972

COc1cc(C(C(=O)NC2CCCCC2)C(C(=O)Nc2ccc(C(C)C)cc2)c2c[nH]c3ccccc23)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.44
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EPHX1 P07099 1/20 0.43
NFKB1 P19838 1/20 0.43
EPHX2 P34913 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
CFTR P13569 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL17956922 0.74 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKMT2ALMNANMBR
SCHEMBL17957087 0.73 SMN1; SMN2 (0.51) TP53SMN1; SMN2EPHX1NFKB1EPHX2
SCHEMBL17957009 0.72 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL17956934 0.69 NPSR1 (0.46) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL18137772 0.69 NPSR1 (0.45) SMN1; SMN2MAPTNPC1MEN1KMT2A
SCHEMBL17957011 0.69 KMT2A (0.45) POLBMEN1KMT2ACYP3A4CYP2C19
SCHEMBL17957057 0.68 KMT2A (0.46) TP53SMN1; SMN2MAPTPOLBRXFP1
SCHEMBL17956921 0.68 KDM4E (0.44) SMN1; SMN2MAPTPOLBLMNANMBR
SCHEMBL7250903 0.68 TSHR (0.46) SMN1; SMN2EPHX1MAPTNPC1RAB9A
SCHEMBL17957086 0.68 POLB (0.51) SMN1; SMN2TDP1POLBNPC1RAB9A

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
EP-3050871-B1 NOVEL BIS-AMIDE DERIVATIVE AND USE THEREOF UNIV INDUSTRY COOPERATION GROUP KYUNG HEE UNIV (KR) 2018-11-07 EP disclosed
US-10064843-B2 Bis-amide derivative and use thereof UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2018-09-04 US disclosed
US-20160297751-A1 NOVEL BIS-AMIDE DERIVATIVE AND USE THEREOF UNIVERSITY-INDUSTRY COOPERATION GROUP OF KYUNG HEE UNIVERSITY (KR) 2016-10-13 US disclosed
EP-3050871-A1 NOVEL BIS-AMIDE DERIVATIVE AND USE THEREOF University-Industry Cooperation Group of Kyung Hee University (KR) 2016-08-03 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 (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-10064843-B2 Bis-amide derivative and use thereof CYP2C8, CYP4F8, CYP2F1 STING1 131/4885TP53 1440/4885SMN1; SMN2 4861/4885
US-20160297751-A1 NOVEL BIS-AMIDE DERIVATIVE AND USE THEREOF CYP2C8, CYP4F8, CYP2F1 STING1 96/4885TP53 1575/4885SMN1; SMN2 4860/4885

“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.