SCHEMBL2233231

SCHEMBL2233231

CC(=O)Nc1ccc(C#CC2=CCCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
KDM4E B2RXH2 3/20 0.63
RAB9A P51151 2/20 0.63
CYP2C19 P33261 2/20 0.63
HPGD P15428 1/20 0.63
FFAR1 O14842 1/20 0.56
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
NR1I2 O75469 1/20 0.41
CA1 P00915 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
SCHEMBL13520572 0.81 FFAR1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2233227 0.75 CYP1A2 (0.43) ALDH1A1SMN1; SMN2KDM4ERAB9ACYP2C19
SCHEMBL11819845 0.74 SMN1; SMN2 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2231385 0.73 RAB9A (0.85) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL24230015 0.72 FFAR1 (0.57) ALDH1A1RAB9AFFAR1NPC1ATM
SCHEMBL10191870 0.71 KMT2A (0.81) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27881974 0.71 FFAR1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2232295 0.71 FFAR1 (0.55) ALDH1A1SMN1; SMN2KDM4ERAB9AFFAR1
SCHEMBL13520590 0.71 FFAR1 (0.51) ALDH1A1SMN1; SMN2RAB9AFFAR1NPC1
SCHEMBL28166528 0.70 FFAR1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2RAB9A

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-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US claimed
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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US claimed
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
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US 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 MEN1 206/4885KMT2A 1588/4885ALDH1A1 237/4885

“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.