SCHEMBL2234557

SCHEMBL2234557

N#Cc1ccc(C#Cc2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
TP53 P04637 2/20 0.59
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
ALDH1A1 P00352 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CCR6 P51684 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALOX15 P16050 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL139427 0.94 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9ALDH1A1
SCHEMBL149656 0.94 KDM4E (0.66) KDM4ETP53CHRNA10CHRNA9ALDH1A1
SCHEMBL154178 0.92 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9ALDH1A1
SCHEMBL13098159 0.89 KDM4E (0.59) KDM4ETP53CHRNA10CHRNA9ALDH1A1
SCHEMBL7402909 0.88 KDM4E (0.68) KDM4ETP53CHRNA10CHRNA9ALDH1A1
SCHEMBL10300050 0.88 ALDH1A1 (0.52) KDM4ETP53ALDH1A1TDP1LMNA
SCHEMBL8663285 0.84 KDM4E (0.54) KDM4ETP53CHRNA10CHRNA9ALDH1A1
SCHEMBL2384959 0.83 KDM4E (0.80) KDM4ETP53CHRNA10CHRNA9ALDH1A1
SCHEMBL10300282 0.82 ALDH1A1 (0.47) KDM4ETP53ALDH1A1TDP1LMNA
SCHEMBL18409049 0.81 KDM4E (0.56) KDM4ETP53CHRNA10CHRNA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP claimed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP disclosed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 KDM4E 1365/4885TP53 3214/4885CHRNA10 4044/4885

“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.