SCHEMBL16907005

SCHEMBL16907005

COC(=O)C(Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)c1cc(C)cc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.47
EDNRA P25101 11/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HDAC1 Q13547 4/20 0.45
HDAC6 Q9UBN7 4/20 0.45
TACR1 P25103 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7436226 1.00 EDNRB (0.47) EDNRBEDNRAALDH1A1MAPTHDAC1
SCHEMBL7436229 1.00 EDNRB (0.47) EDNRBEDNRAALDH1A1MAPTHDAC1
SCHEMBL8724866 0.93 TACR1 (0.45) EDNRBEDNRAALDH1A1MAPTTACR1
SCHEMBL8724868 0.93 TACR1 (0.45) EDNRBEDNRAALDH1A1MAPTTACR1
SCHEMBL8726256 0.89 NPY5R (0.46) EDNRBEDNRA
SCHEMBL8726260 0.89 NPY5R (0.46) EDNRBEDNRA
SCHEMBL7451075 0.88 ALDH1A1 (0.50) EDNRBEDNRAALDH1A1MAPT
SCHEMBL16907004 0.88 ALDH1A1 (0.50) EDNRBEDNRAALDH1A1MAPT
SCHEMBL7451078 0.88 ALDH1A1 (0.50) EDNRBEDNRAALDH1A1MAPT
SCHEMBL8490486 0.87 SLC7A5 (0.40) EDNRBEDNRAHDAC1HDAC6

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-20160331783-A1 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US disclosed
US-20160331783-A1 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION 2016-11-17 US disclosed
WO-2015106242-A2 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN THE GENERAL HOSPITAL CORPORATION (US) 2015-07-16 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 (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-20160331783-A1 BISAMIDE COMPOUNDS AS ALLOSTERIC EFFECTORS FOR REDUCING THE OXYGEN-BINDING AFFINITY OF HEMOGLOBIN HBB, HBG2, HBG1 EDNRB 259/4885EDNRA 205/4885ALDH1A1 2799/4885

“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.