SCHEMBL3739876

SCHEMBL3739876

COc1cccc(NC([NH])=O)c1OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.53
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
NFE2L2 Q16236 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GLS O94925 1/20 0.45
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3225418 0.84 BRD4 (0.55) BRD4NAMPTALDH1A1KDM4EGAA
SCHEMBL6774791 0.84 BRD4 (0.55) BRD4NAMPTALDH1A1KDM4EGAA
SCHEMBL8493065 0.83 ALDH1A1 (0.59) BRD4NAMPTALDH1A1KDM4EGAA
SCHEMBL5734950 0.79 BRD4 (0.47) BRD4NAMPTALDH1A1KDM4EGAA
SCHEMBL24499445 0.79 BRD4 (0.53) BRD4ALDH1A1NFE2L2LMNANPSR1
SCHEMBL8874149 0.79 NAMPT (0.62) NAMPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL22312086 0.79 BRD4 (0.53) BRD4ALDH1A1KDM4ENFE2L2NPC1
SCHEMBL29428945 0.79 BRD4 (0.53) BRD4ALDH1A1KDM4ENFE2L2NPC1
SCHEMBL28046011 0.79 ALDH1A1 (0.55) BRD4ALDH1A1NFE2L2LMNAMAPT
SCHEMBL5698467 0.79 BRD4 (0.50) BRD4NAMPTALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP claimed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 WO claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
EP-2061449-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES Leo Pharma A/S (DK) 2009-05-27 EP disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R BRD4 2538/4885NAMPT 3329/4885ALDH1A1 1976/4885

“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.